 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer08_STD_LCPBE_augccpVDZ.in
 Output=12_L-valine_conformer08_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-130574.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    130583.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=12_L-valine_conformer08_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033700000
 0,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=337000000,108=337000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:53 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "12_L-valine_conformer08_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.412250000000     -0.293817000000     -0.659732000000
  C                                                 1.052491000000     -0.579308000000     -0.023478000000
  C                                                -0.027034000000      0.388733000000     -0.598813000000
  C                                                -1.390463000000     -0.046113000000     -0.106970000000
  O                                                -1.821402000000     -1.161736000000     -0.736457000000
  C                                                 1.133559000000     -0.529563000000      1.500987000000
  N                                                 0.135122000000      1.799703000000     -0.297606000000
  O                                                -2.020824000000      0.489404000000      0.767388000000
  H                                                -0.021936000000      0.253255000000     -1.684416000000
  H                                                 0.747954000000     -1.585935000000     -0.324216000000
  H                                                -2.672285000000     -1.401673000000     -0.337129000000
  H                                                -0.239600000000      2.012406000000      0.618715000000
  H                                                 1.104748000000      2.081912000000     -0.335804000000
  H                                                 1.429701000000      0.463432000000      1.845535000000
  H                                                 0.179505000000     -0.772294000000      1.970784000000
  H                                                 1.877624000000     -1.240196000000      1.864259000000
  H                                                 2.361305000000     -0.338696000000     -1.749450000000
  H                                                 2.788843000000      0.693074000000     -0.378253000000
  H                                                 3.151277000000     -1.024146000000     -0.326187000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:19:53 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.528159   0.000000
     3  C    2.533711   1.559964   0.000000
     4  C    3.850653   2.501858   1.513255   0.000000
     5  O    4.322381   3.017751   2.375428   1.351509   0.000000
     6  C    2.521772   1.527429   2.568930   3.031491   3.759999
     7  N    3.114366   2.564450   1.451846   2.402247   3.576408
     8  O    4.722526   3.348564   2.419057   1.203593   2.242227
     9  H    2.697133   2.146222   1.094036   2.109697   2.477681
    10  H    2.133547   1.093839   2.139001   2.644064   2.636566
    11  H    5.213819   3.827351   3.204900   1.879783   0.970069
    12  H    3.739706   2.966293   2.040557   2.467510   3.796547
    13  H    2.731040   2.679994   2.053524   3.287390   4.386813
    14  H    2.795566   2.173201   2.846488   3.467742   4.458422
    15  H    3.483347   2.185504   2.827273   2.703553   3.388871
    16  H    2.748088   2.163601   3.513952   3.998996   4.522463
    17  H    1.091831   2.179419   2.749051   4.105984   4.381619
    18  H    1.093164   2.181683   2.840851   4.252833   4.982267
    19  H    1.091235   2.166660   3.488870   4.651022   4.991472
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.107619   0.000000
     8  O    3.395084   2.738467   0.000000
     9  H    3.477753   2.083125   3.172170   0.000000
    10  H    2.143823   3.440758   3.628328   2.413606   0.000000
    11  H    4.315518   4.258157   2.284848   3.402693   3.425223
    12  H    3.020857   1.012573   2.348275   2.906269   3.848693
    13  H    3.192872   1.010582   3.677270   2.536170   3.685178
    14  H    1.091995   2.838064   3.615135   3.822562   3.061454
    15  H    1.090801   3.429684   2.807399   3.801686   2.500434
    16  H    1.091146   4.117154   4.403696   4.293229   2.486989
    17  H    3.479818   3.411230   5.120867   2.456516   2.487931
    18  H    2.786817   2.876346   4.948421   3.130492   3.059743
    19  H    2.766652   4.131844   5.498852   3.680465   2.468111
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.299713   0.000000
    13  H    5.138224   1.650215   0.000000
    14  H    5.006888   2.586692   2.735564   0.000000
    15  H    3.722269   3.123827   3.784563   1.762299   0.000000
    16  H    5.057060   4.075958   4.058820   1.761628   1.764621
    17  H    5.334941   4.230909   3.071917   3.799370   4.334559
    18  H    5.849237   3.450514   2.183311   2.616340   3.804461
    19  H    5.835796   4.648821   3.719673   3.145328   3.764430
                   16         17         18         19
    16  H    0.000000
    17  H    3.755735   0.000000
    18  H    3.097856   1.768479   0.000000
    19  H    2.543015   1.766232   1.755823   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.83D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.412250   -0.293817   -0.659732
      2          6           0        1.052491   -0.579308   -0.023478
      3          6           0       -0.027034    0.388733   -0.598813
      4          6           0       -1.390463   -0.046113   -0.106970
      5          8           0       -1.821402   -1.161736   -0.736457
      6          6           0        1.133559   -0.529563    1.500987
      7          7           0        0.135122    1.799703   -0.297606
      8          8           0       -2.020824    0.489404    0.767388
      9          1           0       -0.021936    0.253255   -1.684416
     10          1           0        0.747954   -1.585935   -0.324216
     11          1           0       -2.672285   -1.401673   -0.337129
     12          1           0       -0.239600    2.012406    0.618715
     13          1           0        1.104748    2.081912   -0.335804
     14          1           0        1.429701    0.463432    1.845535
     15          1           0        0.179505   -0.772294    1.970784
     16          1           0        1.877624   -1.240196    1.864259
     17          1           0        2.361305   -0.338696   -1.749450
     18          1           0        2.788843    0.693074   -0.378253
     19          1           0        3.151277   -1.024146   -0.326187
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9403174           1.4385027           1.3450378
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.6814012426 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:              11.2 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.20D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer08_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636960417 LenY=  5636870575
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.228875979759    
 DIIS: error= 2.46D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.228875979759     IErMin= 1 ErrMin= 2.46D-03
 ErrMax= 2.46D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-02 BMatP= 1.08D-02
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.46D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.427 Goal=   None    Shift=    0.000
 GapD=    0.427 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.20D-02 MaxDP=8.30D-01              OVMax= 2.09D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.20D-02    CP:  1.03D+00
 E= -401.238583196648     Delta-E=       -0.009707216889 Rises=F Damp=F
 DIIS: error= 1.43D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.238583196648     IErMin= 2 ErrMin= 1.43D-03
 ErrMax= 1.43D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-03 BMatP= 1.08D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.43D-02
 Coeff-Com:  0.131D+00 0.869D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.129D+00 0.871D+00
 Gap=     0.376 Goal=   None    Shift=    0.000
 RMSDP=1.95D-03 MaxDP=1.63D-01 DE=-9.71D-03 OVMax= 9.00D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.61D-04    CP:  1.04D+00  1.14D+00
 E= -401.239017116410     Delta-E=       -0.000433919762 Rises=F Damp=F
 DIIS: error= 1.24D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.239017116410     IErMin= 3 ErrMin= 1.24D-03
 ErrMax= 1.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-03 BMatP= 1.40D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.24D-02
 Coeff-Com: -0.414D-01 0.472D+00 0.570D+00
 Coeff-En:   0.000D+00 0.368D+00 0.632D+00
 Coeff:     -0.409D-01 0.471D+00 0.570D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=6.22D-04 MaxDP=5.56D-02 DE=-4.34D-04 OVMax= 4.58D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.59D-04    CP:  1.04D+00  1.18D+00  1.19D+00
 E= -401.239768639938     Delta-E=       -0.000751523528 Rises=F Damp=F
 DIIS: error= 1.46D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.239768639938     IErMin= 4 ErrMin= 1.46D-04
 ErrMax= 1.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-05 BMatP= 1.07D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.46D-03
 Coeff-Com: -0.167D-01 0.112D+00 0.181D+00 0.724D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.167D-01 0.112D+00 0.180D+00 0.725D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.37D-04 MaxDP=9.07D-03 DE=-7.52D-04 OVMax= 1.26D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.08D-05    CP:  1.04D+00  1.19D+00  1.26D+00  1.05D+00
 E= -401.239783679205     Delta-E=       -0.000015039267 Rises=F Damp=F
 DIIS: error= 9.99D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.239783679205     IErMin= 5 ErrMin= 9.99D-05
 ErrMax= 9.99D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.75D-06 BMatP= 2.02D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-02-0.532D-01-0.384D-01 0.399D+00 0.691D+00
 Coeff:      0.109D-02-0.532D-01-0.384D-01 0.399D+00 0.691D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=6.67D-05 MaxDP=3.60D-03 DE=-1.50D-05 OVMax= 8.02D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.12D-05    CP:  1.04D+00  1.20D+00  1.30D+00  1.11D+00  1.28D+00
 E= -401.239790505264     Delta-E=       -0.000006826059 Rises=F Damp=F
 DIIS: error= 1.57D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.239790505264     IErMin= 6 ErrMin= 1.57D-05
 ErrMax= 1.57D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.82D-07 BMatP= 7.75D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.169D-02-0.271D-01-0.276D-01 0.841D-01 0.234D+00 0.735D+00
 Coeff:      0.169D-02-0.271D-01-0.276D-01 0.841D-01 0.234D+00 0.735D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.12D-05 MaxDP=7.30D-04 DE=-6.83D-06 OVMax= 2.78D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.45D-06    CP:  1.04D+00  1.20D+00  1.30D+00  1.11D+00  1.35D+00
                    CP:  1.24D+00
 E= -401.239790861150     Delta-E=       -0.000000355886 Rises=F Damp=F
 DIIS: error= 4.46D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.239790861150     IErMin= 7 ErrMin= 4.46D-06
 ErrMax= 4.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-08 BMatP= 2.82D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.220D-03 0.127D-02-0.685D-03-0.332D-01-0.347D-01 0.175D+00
 Coeff-Com:  0.892D+00
 Coeff:      0.220D-03 0.127D-02-0.685D-03-0.332D-01-0.347D-01 0.175D+00
 Coeff:      0.892D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=4.80D-06 MaxDP=5.19D-04 DE=-3.56D-07 OVMax= 1.62D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.29D-06    CP:  1.04D+00  1.20D+00  1.30D+00  1.11D+00  1.39D+00
                    CP:  1.29D+00  1.08D+00
 E= -401.239790915103     Delta-E=       -0.000000053953 Rises=F Damp=F
 DIIS: error= 1.58D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.239790915103     IErMin= 8 ErrMin= 1.58D-06
 ErrMax= 1.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-09 BMatP= 2.49D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.119D-03 0.285D-02 0.254D-02-0.165D-01-0.298D-01-0.339D-01
 Coeff-Com:  0.211D+00 0.864D+00
 Coeff:     -0.119D-03 0.285D-02 0.254D-02-0.165D-01-0.298D-01-0.339D-01
 Coeff:      0.211D+00 0.864D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.58D-06 MaxDP=1.39D-04 DE=-5.40D-08 OVMax= 6.03D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.03D-07    CP:  1.04D+00  1.20D+00  1.30D+00  1.11D+00  1.39D+00
                    CP:  1.30D+00  1.12D+00  1.21D+00
 E= -401.239790921083     Delta-E=       -0.000000005979 Rises=F Damp=F
 DIIS: error= 6.88D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.239790921083     IErMin= 9 ErrMin= 6.88D-07
 ErrMax= 6.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.70D-10 BMatP= 2.77D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.643D-04 0.818D-03 0.975D-03-0.183D-02-0.595D-02-0.346D-01
 Coeff-Com: -0.366D-01 0.305D+00 0.772D+00
 Coeff:     -0.643D-04 0.818D-03 0.975D-03-0.183D-02-0.595D-02-0.346D-01
 Coeff:     -0.366D-01 0.305D+00 0.772D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=3.95D-07 MaxDP=1.53D-05 DE=-5.98D-09 OVMax= 2.17D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.22D-07    CP:  1.04D+00  1.20D+00  1.30D+00  1.11D+00  1.39D+00
                    CP:  1.29D+00  1.13D+00  1.28D+00  1.15D+00
 E= -401.239790921935     Delta-E=       -0.000000000852 Rises=F Damp=F
 DIIS: error= 1.80D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.239790921935     IErMin=10 ErrMin= 1.80D-07
 ErrMax= 1.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-11 BMatP= 4.70D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.342D-05-0.233D-03-0.145D-03 0.194D-02 0.317D-02-0.188D-02
 Coeff-Com: -0.363D-01-0.600D-01 0.131D+00 0.962D+00
 Coeff:      0.342D-05-0.233D-03-0.145D-03 0.194D-02 0.317D-02-0.188D-02
 Coeff:     -0.363D-01-0.600D-01 0.131D+00 0.962D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.95D-07 MaxDP=1.65D-05 DE=-8.52D-10 OVMax= 8.94D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.45D-08    CP:  1.04D+00  1.20D+00  1.30D+00  1.11D+00  1.39D+00
                    CP:  1.29D+00  1.13D+00  1.30D+00  1.23D+00  1.23D+00
 E= -401.239790922058     Delta-E=       -0.000000000123 Rises=F Damp=F
 DIIS: error= 5.12D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.239790922058     IErMin=11 ErrMin= 5.12D-08
 ErrMax= 5.12D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.27D-12 BMatP= 3.53D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.596D-05-0.125D-03-0.117D-03 0.596D-03 0.131D-02 0.259D-02
 Coeff-Com: -0.535D-02-0.382D-01-0.357D-01 0.223D+00 0.852D+00
 Coeff:      0.596D-05-0.125D-03-0.117D-03 0.596D-03 0.131D-02 0.259D-02
 Coeff:     -0.535D-02-0.382D-01-0.357D-01 0.223D+00 0.852D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=6.26D-08 MaxDP=7.45D-06 DE=-1.23D-10 OVMax= 1.98D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.76D-08    CP:  1.04D+00  1.20D+00  1.30D+00  1.11D+00  1.39D+00
                    CP:  1.29D+00  1.13D+00  1.29D+00  1.24D+00  1.31D+00
                    CP:  1.13D+00
 E= -401.239790922079     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 1.88D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.239790922079     IErMin=12 ErrMin= 1.88D-08
 ErrMax= 1.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.13D-13 BMatP= 3.27D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.110D-05-0.377D-05-0.119D-04-0.671D-04-0.286D-04 0.707D-03
 Coeff-Com:  0.221D-02-0.891D-03-0.212D-01-0.514D-01 0.147D+00 0.924D+00
 Coeff:      0.110D-05-0.377D-05-0.119D-04-0.671D-04-0.286D-04 0.707D-03
 Coeff:      0.221D-02-0.891D-03-0.212D-01-0.514D-01 0.147D+00 0.924D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.60D-08 MaxDP=5.85D-07 DE=-2.13D-11 OVMax= 7.07D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.12D-08    CP:  1.04D+00  1.20D+00  1.30D+00  1.11D+00  1.39D+00
                    CP:  1.29D+00  1.13D+00  1.29D+00  1.23D+00  1.33D+00
                    CP:  1.19D+00  1.08D+00
 E= -401.239790922057     Delta-E=        0.000000000022 Rises=F Damp=F
 DIIS: error= 6.21D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.239790922079     IErMin=13 ErrMin= 6.21D-09
 ErrMax= 6.21D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.83D-14 BMatP= 3.13D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.393D-06 0.131D-04 0.964D-05-0.845D-04-0.157D-03-0.894D-04
 Coeff-Com:  0.116D-02 0.419D-02-0.262D-02-0.391D-01-0.585D-01 0.269D+00
 Coeff-Com:  0.826D+00
 Coeff:     -0.393D-06 0.131D-04 0.964D-05-0.845D-04-0.157D-03-0.894D-04
 Coeff:      0.116D-02 0.419D-02-0.262D-02-0.391D-01-0.585D-01 0.269D+00
 Coeff:      0.826D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=6.91D-09 MaxDP=7.33D-07 DE= 2.17D-11 OVMax= 1.92D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -401.239790922     A.U. after   13 cycles
            NFock= 13  Conv=0.69D-08     -V/T= 2.0053
 KE= 3.991158241395D+02 PE=-1.755522526982D+03 EE= 5.464855106782D+02
 Leave Link  502 at Mon Aug 16 21:21:57 2021, MaxMem=  5637144576 cpu:             963.2 elap:             120.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.68841215D+02

 Leave Link  801 at Mon Aug 16 21:21:57 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.57D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.34D-01 4.29D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.05D-02 2.03D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.26D-03 8.02D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.21D-04 2.24D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 4.90D-06 2.49D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 2.42D-07 5.21D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 5.53D-09 7.16D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 9.17D-11 9.71D-07.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.29D-12 1.59D-07.
      4 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.89D-14 2.06D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.878827D+02
      2  0.106433D+00  0.775290D+02
      3 -0.243409D+01  0.202699D+01  0.754923D+02
 Isotropic polarizability for W=    0.088559       80.30 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.728722D+02 -0.247036D+02  0.206514D+01
      2  -0.408645D+02  0.253118D+02 -0.968899D+01
      3  -0.320077D+02 -0.608129D+00  0.762385D+01
      4  -0.252872D+02  0.448386D+02 -0.186671D+02
      5   0.987953D+01 -0.212686D+02  0.609962D+02
      6  -0.466128D+01  0.892587D+00 -0.669196D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.237792D+01  0.137953D+01 -0.123181D+01
      2   0.559736D+01 -0.707958D+01  0.303821D+02
      3   0.752016D+01 -0.256506D+02  0.835504D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.260155D+01  0.105816D+02  0.608383D+01
      2  -0.781439D+01 -0.140058D+02  0.930039D+02
      3  -0.583544D+00 -0.857031D+02  0.166073D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.126573D-01 -0.139832D+01 -0.884554D+00
      2  -0.139832D+01 -0.512880D+00 -0.270273D+00
      3  -0.884554D+00 -0.270273D+00 -0.576923D+00
 OR G Eigenvalues:    -2.0992    -0.3122     1.3090  Iso=     0.3675
 Eigenvectors:
   (1)   0.620088   0.626948   0.471622
   (2)  -0.082950  -0.545388   0.834069
   (3)   0.780135  -0.556317  -0.286183
 w=    0.088559 a.u., Optical Rotation Beta=      0.3675 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      159.07 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 1.41D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.11D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 4.28D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.02D-02 2.76D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 9.88D-04 4.11D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.57D-05 4.29D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 1.55D-07 4.83D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 2.41D-09 6.45D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 2.41D-11 5.25D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 1.69D-13 3.34D-08.
      1 vectors produced by pass  8 Test12= 2.23D-14 2.78D-09 XBig12= 6.68D-16 3.06D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.15D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 7.15D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.79D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.878827D+02  0.106433D+00 -0.243409D+01
      2   0.106433D+00  0.775290D+02  0.202699D+01
      3  -0.243409D+01  0.202699D+01  0.754923D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.237792D+01  0.137953D+01 -0.123181D+01
      2   0.559736D+01 -0.707958D+01  0.303821D+02
      3   0.752016D+01 -0.256506D+02  0.835504D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.728722D+02 -0.247036D+02  0.206514D+01
      2  -0.408645D+02  0.253118D+02 -0.968899D+01
      3  -0.320077D+02 -0.608129D+00  0.762385D+01
      4  -0.252872D+02  0.448386D+02 -0.186671D+02
      5   0.987953D+01 -0.212686D+02  0.609962D+02
      6  -0.466128D+01  0.892587D+00 -0.669196D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.147063D+00  0.220667D+01 -0.308773D+01  0.338707D+01 -0.427836D+01
      2   0.220667D+01 -0.394643D+01  0.163003D+00 -0.427836D+01 -0.239758D+01
      3  -0.308773D+01  0.163003D+00  0.868314D+00 -0.511840D-02 -0.190760D+01
                 6             7             8             9            10 
      1  -0.511840D-02 -0.412745D+01  0.488345D+00 -0.137985D+00  0.179580D+01
      2  -0.190760D+01  0.488345D+00 -0.218425D+01  0.337997D+00 -0.247136D+01
      3   0.374435D+00 -0.137985D+00  0.337997D+00  0.670025D+01  0.372056D+01
                11            12            13            14            15 
      1  -0.247136D+01  0.372056D+01 -0.554451D+01  0.404986D+01  0.252248D+00
      2   0.386932D+01  0.288713D+00  0.404986D+01  0.373735D+01  0.266569D+01
      3   0.288713D+00 -0.267955D+00  0.252248D+00  0.266569D+01  0.201447D+00
                16            17            18            19            20 
      1   0.594213D+01 -0.319493D+00  0.988554D-01 -0.394691D+01  0.391686D+01
      2  -0.319493D+00  0.299893D+01  0.255210D+00  0.391686D+01 -0.203743D+01
      3   0.988554D-01  0.255210D+00 -0.452839D+01 -0.110620D+01  0.521753D+00
                21            22            23            24            25 
      1  -0.110620D+01  0.633004D+01 -0.125186D+01 -0.350159D+00 -0.288856D+01
      2   0.521753D+00 -0.125186D+01 -0.246010D+00 -0.151259D+00  0.597044D+00
      3  -0.425269D+00 -0.350159D+00 -0.151259D+00  0.164893D+01 -0.660933D+00
                26            27            28            29            30 
      1   0.597044D+00 -0.660933D+00  0.163836D+01 -0.234308D+01 -0.921840D+00
      2  -0.214164D+01  0.210134D+01 -0.234308D+01  0.566525D+00  0.171567D+01
      3   0.210134D+01  0.606740D+01 -0.921840D+00  0.171567D+01  0.608015D+00
                31            32            33            34            35 
      1  -0.347934D+01 -0.106936D+00  0.188695D+01 -0.409110D+01  0.138794D+01
      2  -0.106936D+00 -0.374668D+00  0.526885D+00  0.138794D+01 -0.392957D+00
      3   0.188695D+01  0.526885D+00 -0.123696D+01  0.184638D+01 -0.106099D+01
                36            37            38            39            40 
      1   0.184638D+01  0.459658D+01  0.152019D+01 -0.171800D+01  0.216091D+00
      2  -0.106099D+01  0.152019D+01  0.179920D+01 -0.752130D+00  0.287836D-01
      3  -0.297810D+01 -0.171800D+01 -0.752130D+00  0.333947D+00 -0.987414D+00
                41            42            43            44            45 
      1   0.287836D-01 -0.987414D+00 -0.345901D+01 -0.173815D+01 -0.112715D+01
      2  -0.337721D+01 -0.169854D+01 -0.173815D+01 -0.221666D+01 -0.158728D+01
      3  -0.169854D+01 -0.793513D+00 -0.112715D+01 -0.158728D+01 -0.290070D+01
                46            47            48            49            50 
      1   0.118372D+01  0.295779D+01 -0.411572D+01  0.296534D+01 -0.320136D+01
      2   0.295779D+01 -0.305401D+01  0.162857D+00 -0.320136D+01 -0.234036D+01
      3  -0.411572D+01  0.162857D+00  0.608346D+00  0.638537D-01 -0.306575D+01
                51            52            53            54            55 
      1   0.638537D-01 -0.360333D+01 -0.147752D-01  0.283770D+00 -0.362712D+01
      2  -0.306575D+01 -0.147752D-01 -0.266006D+01 -0.946652D-01 -0.545865D+00
      3   0.251041D+00  0.283770D+00 -0.946652D-01  0.293342D+01  0.353079D-02
                56            57            58            59            60 
      1  -0.545865D+00  0.353079D-02 -0.182804D+01 -0.626663D+00  0.984488D-01
      2  -0.251362D+00 -0.222860D+00 -0.626663D+00  0.425669D+01 -0.159007D+01
      3  -0.222860D+00  0.132796D+01  0.984488D-01 -0.159007D+01 -0.129055D+01
                61            62            63            64            65 
      1  -0.232979D+00 -0.716313D+00  0.761160D+00 -0.625219D+01  0.229128D+01
      2  -0.716313D+00 -0.828109D+00 -0.393605D+00  0.229128D+01 -0.189969D+01
      3   0.761160D+00 -0.393605D+00 -0.359828D+01  0.289668D+01 -0.142734D+01
                66            67            68            69            70 
      1   0.289668D+01  0.411404D+01 -0.195639D+01 -0.119582D+01  0.582492D+01
      2  -0.142734D+01 -0.195639D+01  0.395715D+01  0.185147D+01 -0.794277D+00
      3  -0.195177D+01 -0.119582D+01  0.185147D+01  0.178001D+01 -0.300890D+01
                71            72            73            74            75 
      1  -0.794277D+00 -0.300890D+01  0.548861D+00 -0.751446D+00 -0.102553D+01
      2   0.253056D+01  0.217049D+01 -0.751446D+00  0.438560D+00  0.144908D-02
      3   0.217049D+01  0.627317D+01 -0.102553D+01  0.144908D-02  0.244531D+00
                76            77            78            79            80 
      1  -0.119894D+01  0.211374D+00  0.978252D-01 -0.143639D+01 -0.825420D-01
      2   0.211374D+00 -0.146935D+00 -0.124368D+01 -0.825420D-01 -0.166835D+01
      3   0.978252D-01 -0.124368D+01 -0.690670D+00  0.214794D+00 -0.803913D+00
                81            82            83            84            85 
      1   0.214794D+00 -0.131008D+01 -0.934085D+00 -0.971724D+00 -0.123056D+01
      2  -0.803913D+00 -0.934085D+00 -0.145440D+01 -0.113772D+00 -0.119741D+01
      3  -0.852252D+01 -0.971724D+00 -0.113772D+00 -0.442543D+00 -0.699786D-01
                86            87            88            89            90 
      1  -0.119741D+01 -0.699786D-01 -0.131953D+01 -0.111575D+00 -0.178307D+00
      2  -0.752153D+01 -0.150518D+01 -0.111575D+00 -0.169735D+01 -0.152132D+01
      3  -0.150518D+01 -0.167394D+01 -0.178307D+00 -0.152132D+01 -0.583278D+00
                91            92            93            94            95 
      1  -0.727448D+01 -0.344978D+01  0.186813D+00 -0.207689D+01 -0.173107D+01
      2  -0.344978D+01 -0.288844D+01 -0.327870D-01 -0.173107D+01 -0.218665D+01
      3   0.186813D+00 -0.327870D-01 -0.118151D+01  0.163700D+00 -0.116449D-01
                96            97            98            99           100 
      1   0.163700D+00  0.244807D+01  0.136095D+01 -0.933741D+00 -0.116685D+01
      2  -0.116449D-01  0.136095D+01  0.113460D+01 -0.545464D+00  0.111732D+00
      3  -0.617388D+00 -0.933741D+00 -0.545464D+00  0.352340D+00  0.514993D+00
               101           102           103           104           105 
      1   0.111732D+00  0.514993D+00  0.444842D+00 -0.325081D+00 -0.100034D+00
      2  -0.147573D+01 -0.228336D+00 -0.325081D+00  0.156715D+01  0.833140D+00
      3  -0.228336D+00 -0.181242D+01 -0.100034D+00  0.833140D+00  0.186212D+01
               106           107           108           109           110 
      1   0.167671D+01 -0.826089D-01 -0.863220D+00  0.571017D+01  0.206963D+01
      2  -0.826089D-01  0.236653D+01  0.173323D+01  0.206963D+01  0.273637D+01
      3  -0.863220D+00  0.173323D+01  0.391286D+01 -0.345152D+00  0.942826D-01
               111           112           113           114           115 
      1  -0.345152D+00  0.224989D+01  0.114840D+01  0.369019D+00 -0.840398D+00
      2   0.942826D-01  0.114840D+01  0.188982D+01 -0.451305D-01  0.333122D+00
      3   0.802949D+00  0.369019D+00 -0.451305D-01  0.762156D+00  0.250857D+00
               116           117           118           119           120 
      1   0.333122D+00  0.250857D+00  0.957935D+00  0.656102D+00  0.106519D+01
      2  -0.437462D+00  0.535397D+00  0.656102D+00  0.137423D+01  0.494905D+00
      3   0.535397D+00 -0.329195D+00  0.106519D+01  0.494905D+00  0.862659D+00
               121           122           123           124           125 
      1   0.142670D+01  0.119255D+01  0.880046D+00  0.856793D+00  0.384458D+00
      2   0.119255D+01  0.484359D+01  0.182779D+01  0.384458D+00  0.164692D+01
      3   0.880046D+00  0.182779D+01  0.301720D+01  0.456172D+00  0.137236D+01
               126           127           128           129           130 
      1   0.456172D+00 -0.493987D+01 -0.113659D+01  0.218583D+01 -0.116407D+01
      2   0.137236D+01 -0.113659D+01 -0.109290D+01  0.881961D+00 -0.528233D+00
      3   0.166694D+01  0.218583D+01  0.881961D+00 -0.327133D+01  0.493100D+00
               131           132           133           134           135 
      1  -0.528233D+00  0.493100D+00  0.190837D+01  0.496976D+00 -0.180157D+01
      2  -0.718129D+00  0.115200D+01  0.496976D+00  0.966973D+00 -0.692597D+00
      3   0.115200D+01 -0.990203D+00 -0.180157D+01 -0.692597D+00  0.261725D+01
               136           137           138           139           140 
      1   0.382276D+01 -0.240673D+01  0.237405D+01 -0.275218D+01  0.239655D+01
      2  -0.240673D+01  0.248266D+01 -0.133285D+01  0.239655D+01 -0.318158D+01
      3   0.237405D+01 -0.133285D+01  0.233889D+01 -0.135768D+01  0.218188D+01
               141           142           143           144           145 
      1  -0.135768D+01  0.146801D+01 -0.873413D+00  0.149028D+01  0.111845D+00
      2   0.218188D+01 -0.873413D+00  0.148126D+01 -0.145404D+01 -0.181972D+00
      3  -0.235681D+01  0.149028D+01 -0.145404D+01  0.193721D+01 -0.695976D+00
               146           147           148           149           150 
      1  -0.181972D+00 -0.695976D+00 -0.461926D+00  0.693759D+00  0.572790D-01
      2   0.227750D+00 -0.991076D-02  0.693759D+00 -0.217528D-01 -0.882922D+00
      3  -0.991076D-02 -0.442328D-01  0.572790D-01 -0.882922D+00 -0.374980D+00
               151           152           153           154           155 
      1  -0.203845D+01  0.140699D+00  0.181477D+01  0.221800D+01  0.142891D+01
      2   0.140699D+00 -0.119385D+01 -0.316266D+00  0.142891D+01  0.204696D+01
      3   0.181477D+01 -0.316266D+00 -0.920509D+01  0.394258D+00  0.744301D-01
               156           157           158           159           160 
      1   0.394258D+00  0.320176D+01  0.227303D+01 -0.152867D+00  0.146726D+01
      2   0.744301D-01  0.227303D+01  0.525594D+01  0.522114D+00  0.316341D+00
      3   0.477198D+00 -0.152867D+00  0.522114D+00  0.132707D+01  0.515531D+00
               161           162           163           164           165 
      1   0.316341D+00  0.515531D+00  0.608052D+01 -0.293826D+01  0.645977D+00
      2   0.120803D+01  0.754460D+00 -0.293826D+01  0.255882D+01 -0.279032D+00
      3   0.754460D+00  0.182532D-01  0.645977D+00 -0.279032D+00  0.924214D+00
               166           167           168           169           170 
      1  -0.459932D+01  0.320906D+01 -0.143391D+00  0.244492D+01 -0.772729D+00
      2   0.320906D+01 -0.299528D+01  0.540823D+00 -0.772729D+00  0.108689D+01
      3  -0.143391D+00  0.540823D+00 -0.119939D+01  0.979249D+00 -0.790346D+00
               171 
      1   0.979249D+00
      2  -0.790346D+00
      3   0.166455D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.314083D+01  0.342943D+01  0.423944D+00  0.435933D+01  0.131402D+01
      2  -0.804703D+01  0.218207D+01  0.852394D+00  0.317006D+01 -0.875366D+01
      3  -0.652987D+01  0.868899D+01  0.106844D+01  0.157716D+02  0.978079D+01
                 6             7             8             9            10 
      1  -0.607070D+00  0.584601D+00  0.331680D+01  0.117027D+01  0.322358D+01
      2   0.670019D+00 -0.812938D+01  0.121926D+01  0.198970D+02  0.686982D+01
      3   0.402216D+01 -0.115055D+01  0.599963D+01 -0.104355D+01  0.406892D+00
                11            12            13            14            15 
      1  -0.852343D+00  0.167523D-01 -0.784219D+00  0.391831D+01 -0.492540D+01
      2  -0.130013D+01  0.412804D+01 -0.375330D+01  0.403961D+01 -0.101222D+00
      3  -0.369381D+01 -0.161165D+01  0.184922D+01 -0.108935D+02 -0.291164D+01
                16            17            18            19            20 
      1  -0.524349D+00  0.165680D+01 -0.245804D+01 -0.251718D+01 -0.641397D+00
      2  -0.239287D+01  0.864259D+00 -0.434056D+01 -0.157036D+01  0.196276D+01
      3  -0.817724D+00 -0.233614D+01 -0.765964D+00  0.747816D+01 -0.587427D+01
                21            22            23            24            25 
      1  -0.138323D+01  0.219015D+01 -0.247581D+00  0.277174D+01 -0.284695D+01
      2   0.212003D+01  0.538353D+01 -0.151836D+01  0.211722D+01 -0.710419D+01
      3   0.743759D+00  0.864712D+00  0.100145D+01 -0.105333D+01 -0.198754D+01
                26            27            28            29            30 
      1   0.491888D+01 -0.235403D+01  0.147399D+01  0.347451D+01  0.218646D+01
      2   0.919899D+00 -0.176269D+01 -0.601447D+01 -0.150230D+01 -0.491874D+01
      3   0.156839D+01  0.534810D+00 -0.944795D+01  0.278458D+01 -0.172106D+01
                31            32            33            34            35 
      1  -0.169149D-01 -0.866318D+01 -0.565392D+00  0.600683D+00  0.191481D+01
      2   0.335073D+01  0.205559D+01  0.257266D+00 -0.940605D+01  0.582212D+00
      3   0.348372D+01  0.386763D+01 -0.205658D+01 -0.638942D+01 -0.708302D+01
                36            37            38            39            40 
      1   0.710549D+01 -0.276029D+01 -0.549440D+00 -0.444228D+00 -0.246355D-01
      2   0.874762D+01  0.569006D+01  0.258004D+01  0.792889D+00 -0.248053D+01
      3  -0.226774D+01 -0.752624D+00 -0.567337D+00  0.832740D+00  0.570798D+01
                41            42            43            44            45 
      1   0.274759D+01 -0.458473D+01  0.250948D+01  0.365460D+01 -0.318927D+01
      2   0.223789D+01  0.208908D+01 -0.477002D+01  0.150861D+01  0.609081D+01
      3  -0.771068D+01 -0.220250D+01  0.267379D+01 -0.250204D+01 -0.283816D+01
                46            47            48            49            50 
      1   0.280842D+01 -0.557263D+01  0.523632D+00 -0.579416D+01 -0.712638D+01
      2  -0.940963D+01 -0.582146D+01  0.125240D+02 -0.426057D+01  0.166519D+01
      3  -0.492267D+01  0.486270D-01  0.186797D+01  0.443874D+01  0.554955D+01
                51            52            53            54            55 
      1  -0.928269D+01 -0.157070D+00 -0.360521D+01  0.278675D+01  0.123693D+01
      2  -0.340799D+00  0.560878D+01  0.171836D+00  0.200355D+01 -0.215065D+01
      3   0.372895D+01  0.186986D+01  0.339513D+01  0.180786D+00 -0.130365D+02
                56            57            58            59            60 
      1   0.271064D+01 -0.287316D+01  0.629373D+00 -0.226676D+01 -0.336459D+01
      2   0.191346D+00  0.257687D+01 -0.760068D+00 -0.279816D+00 -0.131718D+01
      3  -0.677816D+01 -0.585386D+00  0.508871D+01 -0.529402D+00  0.513992D+00
                61            62            63            64            65 
      1  -0.205553D+01  0.670606D+01  0.100294D+02 -0.676908D+00 -0.296814D+01
      2  -0.191343D+01 -0.134314D+00  0.939210D+00 -0.156385D+01  0.254529D+01
      3  -0.251881D+01 -0.202925D+01  0.341659D+01  0.238745D+01 -0.843569D+01
                66            67            68            69            70 
      1   0.101489D+01  0.871151D+00  0.283727D+01 -0.327599D+01 -0.237763D-01
      2   0.928268D+01  0.707582D+00 -0.493633D+01 -0.342961D+01  0.805982D+00
      3  -0.942802D+00  0.108866D+01  0.640846D+01  0.370043D+01  0.408747D+01
                71            72            73            74            75 
      1   0.514718D+01 -0.252480D+01  0.453429D+00 -0.385338D+00  0.247687D+00
      2  -0.374460D+01 -0.137426D+02  0.750567D+00 -0.645973D+00 -0.762705D-01
      3   0.756946D+01  0.367130D+01 -0.178320D+00 -0.130753D+00 -0.419736D+00
                76            77            78            79            80 
      1  -0.684754D+00  0.724945D+00 -0.182582D+00  0.384140D+00  0.358626D+01
      2  -0.111154D+01  0.156627D+00 -0.294049D+00 -0.449868D+01 -0.301098D-01
      3   0.163399D+01 -0.172665D+00 -0.169384D+00  0.460814D+00 -0.188068D+00
                81            82            83            84            85 
      1   0.153842D+01 -0.123076D+01  0.918765D-01 -0.633745D+00 -0.225846D+00
      2   0.563353D+00 -0.163831D+01 -0.260630D+00  0.842890D-01 -0.578438D+00
      3  -0.344674D-01  0.357602D+01  0.142834D+01  0.111075D+01  0.566212D+01
                86            87            88            89            90 
      1   0.314522D+00 -0.399914D+01 -0.105210D+00  0.318439D+00 -0.390650D+00
      2  -0.147300D+01 -0.139662D+01 -0.204349D+01 -0.155616D+01 -0.509918D+00
      3   0.842235D+01  0.182957D+01  0.201797D+01  0.170638D+01  0.175077D+01
                91            92            93            94            95 
      1   0.311391D+01  0.188027D+01 -0.185637D+01  0.185180D+01  0.173119D+01
      2  -0.508483D+01 -0.264551D+01  0.376520D+01 -0.238187D+01 -0.166903D+01
      3   0.170701D+01 -0.371425D+01 -0.649523D+00  0.353910D+00 -0.184673D+01
                96            97            98            99           100 
      1  -0.850162D+00 -0.158062D+01 -0.620333D+00  0.121709D+01 -0.173867D+01
      2   0.150659D+01  0.263243D+01  0.147398D+01 -0.234264D+01  0.564381D+00
      3   0.122942D+00  0.696166D-01  0.195403D+01 -0.267573D+00 -0.274293D+01
               101           102           103           104           105 
      1  -0.386722D+00  0.464247D+01 -0.201984D+00 -0.179616D+01 -0.495104D+01
      2   0.539005D+00  0.571519D-01  0.425895D+00  0.126608D+00  0.610612D-01
      3  -0.108695D+01  0.146429D+01  0.523509D+00 -0.817555D+00 -0.129612D+00
               106           107           108           109           110 
      1   0.254024D+01 -0.264173D+01 -0.117054D+02 -0.609282D+00 -0.145653D+01
      2  -0.235601D+01  0.569986D-01 -0.109576D+01  0.241773D+01  0.406455D+00
      3   0.515753D+01 -0.266576D+00 -0.290597D+01  0.166228D+02  0.101192D+01
               111           112           113           114           115 
      1  -0.277638D+01 -0.144913D+01 -0.707543D+00 -0.149423D+01 -0.515400D+00
      2   0.191473D+01  0.644441D+00  0.390970D+00  0.109042D+01 -0.956370D+00
      3  -0.295072D+00  0.441210D+01  0.191150D+01  0.100227D+01 -0.166716D+01
               116           117           118           119           120 
      1   0.306075D+00 -0.516637D+00  0.189433D+01  0.296325D+01  0.110261D+01
      2   0.489959D+00  0.949031D-01  0.157822D+00 -0.534965D+00  0.610275D+00
      3   0.794577D+00  0.728754D-01 -0.643692D+00 -0.291253D+01 -0.100795D+01
               121           122           123           124           125 
      1   0.228637D+01  0.129951D+02  0.243795D+01  0.141037D+01  0.499238D+01
      2  -0.256515D+01  0.250192D+00  0.324533D+01 -0.222245D+01  0.873690D+00
      3   0.201423D+00 -0.800648D+01 -0.218879D+01 -0.618205D+00 -0.186927D+01
               126           127           128           129           130 
      1   0.324896D+01 -0.223925D+00 -0.254922D+01 -0.128723D+01 -0.890177D+00
      2   0.116386D+01  0.152741D+02  0.292338D+01 -0.545807D+01  0.265399D+01
      3  -0.218217D+01  0.534303D+01  0.201528D+00 -0.181094D+01  0.234239D+01
               131           132           133           134           135 
      1  -0.622734D-01  0.258398D+00 -0.372222D+00  0.256417D+01  0.490206D+00
      2   0.210670D+01 -0.163301D+01 -0.772462D+01 -0.184793D+01  0.544670D+01
      3   0.691844D+00 -0.141661D+01 -0.174090D+01 -0.566559D+00  0.190953D+01
               136           137           138           139           140 
      1  -0.256714D+01  0.458164D+01  0.423383D+00  0.338097D+01 -0.456108D+01
      2  -0.411946D+01  0.241748D+01  0.132531D+01  0.398635D+01 -0.128756D+01
      3  -0.250193D+00 -0.327326D+01  0.317907D+00  0.394094D+00  0.328130D+01
               141           142           143           144           145 
      1   0.350749D+00 -0.640469D+00  0.283533D+01 -0.702195D+00 -0.194380D+00
      2  -0.158169D+01 -0.265463D+01  0.714096D-01  0.345787D+00 -0.243631D+01
      3  -0.201471D+01 -0.480827D+00 -0.189801D+01  0.792374D+00  0.719887D+00
               146           147           148           149           150 
      1  -0.101083D+00 -0.404621D-01 -0.511776D+00 -0.361915D+00 -0.244109D+00
      2  -0.125472D+00  0.464958D+00 -0.296629D+00 -0.120915D+01 -0.843638D+00
      3  -0.127005D+01  0.317376D+00 -0.766323D+00 -0.618639D+00  0.191295D+01
               151           152           153           154           155 
      1   0.407262D+00  0.382310D+01 -0.268008D+01 -0.108379D+01 -0.174327D+01
      2  -0.802419D+00 -0.654630D+00 -0.228486D+02  0.270517D+01  0.155438D+01
      3   0.488949D+00  0.333845D+01  0.347913D+00 -0.444527D+01 -0.678983D+01
               156           157           158           159           160 
      1  -0.776992D+00 -0.175042D+01 -0.393169D+01 -0.244506D+01 -0.303676D+00
      2   0.250415D+01  0.159559D+01  0.396590D+01  0.464981D+01  0.909952D+00
      3  -0.389590D+00 -0.384542D+01 -0.180979D+02 -0.208453D+01 -0.330377D+00
               161           162           163           164           165 
      1   0.293227D+00 -0.982255D+00  0.253855D+01 -0.192552D+01  0.148997D+01
      2   0.222525D+01  0.796311D+00  0.638847D+01 -0.345299D+01  0.519535D+01
      3  -0.411474D+01 -0.205692D+01  0.465521D+01 -0.840090D+01  0.697244D+00
               166           167           168           169           170 
      1  -0.201835D+01  0.212889D+01 -0.279189D+01  0.742014D+00 -0.403017D+00
      2  -0.373006D+01  0.413162D+01 -0.474896D+01  0.307722D+01 -0.254405D+01
      3  -0.526486D+01  0.783314D+01 -0.182172D+01  0.875511D+00 -0.347238D+01
               171 
      1   0.930004D+00
      2   0.176986D+01
      3   0.168556D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.765538D+00  0.118033D+02 -0.162577D+02  0.127364D+02 -0.260127D+02
      2  -0.562559D+01 -0.410442D+01  0.752792D+01 -0.419358D+01  0.823061D+01
      3   0.639113D+01 -0.769884D+01  0.872977D+01 -0.854285D+01  0.177821D+02
      4   0.150583D+02 -0.227425D+02  0.265439D+01 -0.302175D+02 -0.100859D+02
      5  -0.172956D+02 -0.598077D+00  0.585618D+01 -0.127145D+01 -0.752613D+01
      6   0.320294D+00  0.278179D+01 -0.764091D+00  0.224256D+01  0.367678D+01
                 6             7             8             9            10 
      1  -0.176612D+00 -0.201920D+02  0.253485D+01  0.120823D+02 -0.825559D+01
      2   0.124512D+01  0.631212D+01  0.105560D+00  0.776055D+01 -0.154689D+00
      3  -0.106851D+01  0.138799D+02 -0.264041D+01 -0.198428D+02  0.841028D+01
      4  -0.950626D+01  0.471388D+01 -0.120004D+02  0.221895D+01 -0.487048D+01
      5   0.804548D+00  0.259460D+01  0.142880D+01  0.285352D+02  0.139933D+02
      6   0.176987D+01  0.219760D+00  0.200385D+01 -0.682888D+01 -0.422974D+01
                11            12            13            14            15 
      1  -0.213502D+01  0.120156D+02 -0.234136D+01  0.176572D+02  0.356943D+01
      2   0.579148D-01 -0.837611D+01  0.889135D-01 -0.207820D+02 -0.549291D+01
      3   0.207710D+01 -0.363948D+01  0.225244D+01  0.312478D+01  0.192347D+01
      4   0.823859D+01 -0.221489D+01  0.169148D+02  0.270760D+01  0.432356D+01
      5   0.380308D+00 -0.189994D+01  0.490277D+00  0.443509D+01  0.231038D+00
      6   0.584222D-01  0.516080D+00  0.419053D+00 -0.876942D+01  0.327597D+01
                16            17            18            19            20 
      1   0.160082D+02  0.831674D+00  0.220377D+01 -0.340011D+01 -0.265888D+00
      2  -0.779111D+01 -0.350067D+01 -0.178093D+01  0.765428D+01 -0.393007D+01
      3  -0.821706D+01  0.266899D+01 -0.422844D+00 -0.425417D+01  0.419596D+01
      4  -0.409066D+01  0.512676D+01  0.121990D+01 -0.104795D+01 -0.586028D+00
      5  -0.116875D+01  0.153306D+01 -0.109725D+02 -0.440558D+01 -0.927392D+00
      6  -0.199037D+00 -0.225256D+01  0.394177D+01  0.122553D+01  0.902668D+00
                21            22            23            24            25 
      1  -0.236436D+01  0.296314D+01  0.749374D+00  0.386420D+00 -0.839525D+01
      2   0.429328D+01 -0.403362D+01 -0.162212D+01  0.391382D+01  0.455930D+01
      3  -0.192892D+01  0.107049D+01  0.872751D+00 -0.430024D+01  0.383596D+01
      4   0.606054D+00 -0.110048D+02  0.387766D+01 -0.197515D+01  0.259750D+01
      5   0.201467D+01  0.921583D+00  0.803562D+00  0.410702D+01  0.234291D+01
      6  -0.656089D+00 -0.302948D+01  0.477346D+01 -0.781578D+01 -0.105550D+01
                26            27            28            29            30 
      1   0.709894D+01  0.771287D+01 -0.818368D+01  0.895866D+01 -0.282818D+00
      2  -0.432931D+01  0.163950D+02  0.365530D+01 -0.729223D+01 -0.340156D+01
      3  -0.276963D+01 -0.241078D+02  0.452838D+01 -0.166642D+01  0.368438D+01
      4   0.374747D+00 -0.146823D+01  0.685478D+01 -0.882784D+01 -0.816531D+01
      5  -0.610788D+00  0.324295D+00  0.697269D+01 -0.765559D+01 -0.121132D+02
      6   0.509094D+01 -0.170549D+01 -0.540788D+01  0.162065D+01 -0.276249D+01
                31            32            33            34            35 
      1   0.137499D+02  0.409420D+01 -0.442816D+01  0.152540D+02 -0.181064D+01
      2  -0.772527D+01 -0.664123D+01  0.887709D+01 -0.875769D+01 -0.390758D+01
      3  -0.602462D+01  0.254704D+01 -0.444893D+01 -0.649628D+01  0.571822D+01
      4  -0.502805D+01 -0.260749D+01 -0.615653D+00 -0.105191D+02  0.774980D+01
      5  -0.164925D+02 -0.231098D-01 -0.312255D+01 -0.114178D+02  0.110726D+01
      6  -0.319305D+01 -0.631378D+01 -0.232554D+01 -0.137981D+01 -0.164517D+01
                36            37            38            39            40 
      1  -0.738255D+01 -0.157238D+02 -0.741505D+01  0.755850D+01 -0.654366D+01
      2   0.573807D+01  0.291165D+01  0.321707D+01 -0.465607D+01  0.290930D+01
      3   0.164447D+01  0.128122D+02  0.419798D+01 -0.290243D+01  0.363436D+01
      4   0.373597D+01 -0.131131D+02 -0.356119D+01  0.617498D+01  0.576947D+01
      5   0.145197D+02  0.786976D+01  0.376295D+01  0.734048D+01  0.812931D+01
      6  -0.552668D+01  0.545245D+01  0.223652D+01  0.154474D+01  0.561334D+01
                41            42            43            44            45 
      1  -0.156013D+02 -0.100232D+01  0.123639D+02  0.864533D+00 -0.405888D+01
      2   0.211481D+02  0.555573D-01 -0.515742D+01  0.284575D+01 -0.414368D+01
      3  -0.554684D+01  0.946762D+00 -0.720648D+01 -0.371028D+01  0.820256D+01
      4   0.152386D+02  0.752960D+01  0.134538D+02  0.109275D+02  0.549841D+01
      5   0.774927D+01  0.766701D+01  0.122717D+02  0.837293D+01  0.152585D+02
      6   0.861230D+01  0.979933D+01  0.332539D+01  0.100272D+02  0.915864D+01
                46            47            48            49            50 
      1   0.119706D+02  0.613526D+01 -0.103095D+02  0.480979D+01 -0.433266D+01
      2  -0.132566D+01 -0.152767D-01  0.264047D+01  0.351735D+00  0.974174D+01
      3  -0.106450D+02 -0.611998D+01  0.766907D+01 -0.516152D+01 -0.540908D+01
      4   0.571261D+01 -0.131563D+02  0.823593D+01 -0.149166D+02 -0.205149D+01
      5  -0.532068D+01  0.964746D+01 -0.108218D+02  0.775613D+01 -0.177034D+02
      6   0.149648D+02 -0.108650D+02  0.180413D-01 -0.122165D+02 -0.496858D+01
                51            52            53            54            55 
      1   0.975328D+00 -0.958402D+01 -0.542418D+00 -0.716904D+01  0.147137D+01
      2   0.318745D+01  0.247176D+01  0.254142D+01 -0.579645D+01 -0.303695D+01
      3  -0.416278D+01  0.711225D+01 -0.199900D+01  0.129655D+02  0.156559D+01
      4  -0.112199D+02  0.663272D+01 -0.823166D+01 -0.502281D-01 -0.175725D+02
      5   0.694725D+00 -0.112949D+02 -0.622029D+00  0.893747D+01  0.573034D+01
      6  -0.134097D+02  0.334027D-01 -0.998619D+01 -0.470087D+00 -0.168967D+01
                56            57            58            59            60 
      1  -0.207621D+01  0.234535D+01 -0.261999D+01 -0.211591D+02  0.383227D+01
      2  -0.136102D+01 -0.228114D+01  0.647129D+00  0.321542D+02 -0.611592D+01
      3   0.343724D+01 -0.642097D-01  0.197286D+01 -0.109951D+02  0.228364D+01
      4  -0.453768D+00 -0.273347D+01  0.330005D+01 -0.432833D+01  0.543224D+00
      5  -0.169023D+01  0.447927D+01 -0.419104D+00 -0.446877D+00 -0.306042D+01
      6  -0.144536D+01  0.455918D+01  0.929252D+00 -0.722602D+01  0.712312D+01
                61            62            63            64            65 
      1   0.120907D+01  0.574416D+01 -0.135058D+01  0.342678D+02 -0.885455D+01
      2  -0.381764D+01 -0.250119D+01 -0.586338D+01 -0.185396D+02  0.366873D+01
      3   0.260858D+01 -0.324297D+01  0.721395D+01 -0.157282D+02  0.518582D+01
      4  -0.247127D+01 -0.564445D+00  0.300899D+01 -0.140349D+02  0.171023D+02
      5   0.343179D+01 -0.670206D-01  0.150214D+01 -0.172986D+02  0.793321D+01
      6   0.252757D+01  0.206229D+01 -0.175027D+02  0.229336D+01 -0.312161D+01
                66            67            68            69            70 
      1  -0.905930D+01 -0.135946D+02  0.853375D+00  0.135898D+01 -0.148291D+02
      2   0.935330D+01  0.580768D+01  0.538928D+01 -0.237276D+01  0.102740D+02
      3  -0.293994D+00  0.778695D+01 -0.624266D+01  0.101378D+01  0.455506D+01
      4   0.798051D+01  0.160981D+02 -0.163438D+02 -0.919612D+01  0.564449D+01
      5   0.189063D+02  0.779470D+01 -0.932825D+01 -0.656505D+01  0.219131D+02
      6  -0.168209D+01 -0.397992D+01  0.344374D+01  0.769014D+01 -0.276006D+01
                71            72            73            74            75 
      1  -0.710689D+00  0.242945D+01  0.123278D+01  0.156397D+00  0.704635D-01
      2   0.470637D+00 -0.147768D+02 -0.492808D+01  0.611702D+00 -0.328043D-01
      3   0.240052D+00  0.123474D+02  0.369531D+01 -0.768099D+00 -0.376593D-01
      4  -0.131068D+02 -0.107040D+02 -0.212730D+00  0.156078D+01 -0.326903D+00
      5  -0.879489D+01 -0.294518D+02 -0.424359D-01  0.418458D+00  0.604816D+01
      6   0.743706D+01  0.416653D+01 -0.152702D+00  0.303784D+00 -0.226928D+00
                76            77            78            79            80 
      1   0.846446D+00 -0.367904D+01 -0.958228D+00  0.934253D+00  0.618228D-01
      2   0.264970D+00 -0.636136D+00 -0.274357D+01  0.362407D+00 -0.423591D+01
      3  -0.111142D+01  0.431517D+01  0.370179D+01 -0.129666D+01  0.417409D+01
      4   0.239770D+01 -0.230964D+00  0.499047D+00  0.165752D+00 -0.261972D-01
      5   0.445213D+00 -0.621922D-01 -0.463411D+00  0.553496D+01  0.351004D-01
      6   0.816383D+00  0.455142D+00  0.720153D+01  0.815758D+00  0.484321D+01
                81            82            83            84            85 
      1  -0.188256D+02 -0.724331D+00 -0.355636D+01 -0.245663D+01 -0.525135D+01
      2  -0.188405D+02  0.401296D+01  0.467136D+01  0.210379D+01  0.541410D+01
      3   0.376661D+02 -0.328863D+01 -0.111500D+01  0.352839D+00 -0.162749D+00
      4   0.885473D+00  0.102534D+01  0.375790D+01  0.894656D+00  0.312462D+01
      5   0.387792D+00 -0.146225D+01  0.759429D+00  0.101093D+01  0.121122D+01
      6  -0.100476D+01  0.171800D+01  0.167937D+01  0.783153D+00  0.124012D+01
                86            87            88            89            90 
      1  -0.188538D+02 -0.247952D+01 -0.383067D+01 -0.377186D+01 -0.486533D+01
      2   0.299858D+02  0.521627D+01  0.241641D+01  0.406281D+01  0.292334D+01
      3  -0.111320D+02 -0.273675D+01  0.141426D+01 -0.290950D+00  0.194199D+01
      4  -0.925970D+01 -0.184742D+01  0.616113D+00 -0.216046D+01 -0.156268D+01
      5  -0.208439D+01 -0.333393D+01  0.225423D+01 -0.208484D+01 -0.143328D+00
      6   0.788185D+01  0.694986D+01  0.137689D+01  0.852489D+01  0.435495D+01
                91            92            93            94            95 
      1   0.354251D+02  0.134294D+02 -0.207427D+01  0.580409D+01  0.439939D+01
      2  -0.124191D+02 -0.214880D+01 -0.941030D-01  0.938995D+00  0.255652D+01
      3  -0.230060D+02 -0.112806D+02  0.216837D+01 -0.674309D+01 -0.695591D+01
      4   0.262015D+02  0.178427D+02 -0.585644D+00  0.122945D+02  0.116307D+02
      5   0.288035D+01  0.166815D+01  0.542577D+01  0.562534D+00  0.854014D+00
      6  -0.985914D+00  0.296683D+00  0.233206D+01  0.402189D+00  0.384878D+00
                96            97            98            99           100 
      1  -0.566299D+00 -0.107905D+02 -0.479250D+01  0.310024D+01  0.228046D+00
      2  -0.251879D+00  0.338009D+01  0.268985D+00 -0.127524D+01  0.434882D-01
      3   0.818178D+00  0.741042D+01  0.452352D+01 -0.182501D+01 -0.271534D+00
      4  -0.445822D+00 -0.941000D+01 -0.680802D+01  0.398890D+01 -0.174875D+01
      5   0.208098D+01  0.508677D+01  0.264401D+01 -0.198629D+01 -0.806725D+00
      6   0.186980D+01  0.320189D+01  0.242405D+01 -0.158129D+01  0.234035D+01
               101           102           103           104           105 
      1   0.383322D+01 -0.240893D+00  0.102184D+01 -0.423321D+01 -0.236979D+01
      2  -0.533349D+01 -0.855798D+00 -0.142872D+01  0.644829D+01  0.327587D+01
      3   0.150027D+01  0.109669D+01  0.406883D+00 -0.221507D+01 -0.906086D+00
      4   0.248411D+01  0.166858D+01  0.274721D+01 -0.131432D+01 -0.509901D+00
      5   0.166482D+00  0.628735D+00  0.428822D+00 -0.508286D+00  0.261704D+00
      6   0.509843D+00 -0.688513D+01 -0.444934D+00  0.315342D+01  0.933790D+01
               106           107           108           109           110 
      1   0.807354D+00 -0.740995D+01 -0.764437D+01  0.587172D+01 -0.300352D+01
      2  -0.295164D+00  0.901060D+01  0.504284D+01  0.339457D+01  0.955511D+01
      3  -0.512190D+00 -0.160065D+01  0.260152D+01 -0.926629D+01 -0.655159D+01
      4   0.430920D+01 -0.959487D+00 -0.341698D+01  0.205407D+02  0.133138D+02
      5   0.131017D+01 -0.575595D+00 -0.285547D+00 -0.407557D+01 -0.682614D+00
      6  -0.425526D+01  0.975660D+01  0.164226D+02 -0.174289D+01 -0.838909D+00
               111           112           113           114           115 
      1  -0.104374D+01  0.776549D+00 -0.119204D+01  0.388809D+00 -0.197597D+01
      2   0.101747D+01  0.358821D+01  0.632795D+01 -0.438520D+00  0.249691D+01
      3   0.262704D-01 -0.436475D+01 -0.513592D+01  0.497107D-01 -0.520939D+00
      4  -0.829875D+00  0.119898D+02  0.719163D+01  0.169909D+01 -0.145895D+01
      5   0.254310D+01 -0.274900D+00 -0.806647D-01  0.140850D+01  0.324958D+01
      6   0.344453D+01  0.111274D+01 -0.412669D+00  0.311162D+01  0.814902D+00
               116           117           118           119           120 
      1   0.559094D+00 -0.845728D+00  0.241441D+01  0.203959D+01  0.162886D+01
      2   0.327583D+00  0.550839D+00 -0.313727D+01 -0.228834D+01 -0.308084D+01
      3  -0.886677D+00  0.294890D+00  0.722855D+00  0.248748D+00  0.145199D+01
      4   0.133159D+01  0.118669D+01  0.347067D+01  0.657453D+01  0.138282D+01
      5   0.506872D+00 -0.737211D+00  0.579181D+01  0.382702D+01  0.742297D+01
      6   0.343990D+01 -0.611843D+00  0.193019D+01  0.520644D+01  0.191429D+01
               121           122           123           124           125 
      1   0.398539D+01 -0.264316D+01 -0.479838D+01  0.934296D+00 -0.272625D+01
      2  -0.424427D+01 -0.447797D+00 -0.664467D+01 -0.215661D+01 -0.334844D+01
      3   0.258873D+00  0.309096D+01  0.114430D+02  0.122231D+01  0.607469D+01
      4   0.632239D+01  0.130822D+02  0.641919D+01  0.698415D+00  0.451100D+01
      5   0.743548D+01  0.997098D+01  0.105236D+02  0.577797D+01  0.528298D+01
      6   0.546774D+01  0.177268D+02  0.996800D+01  0.206763D+01  0.938818D+01
               126           127           128           129           130 
      1  -0.396082D+01 -0.877538D+01 -0.532556D+01  0.125945D+02 -0.379441D+01
      2  -0.414673D+01  0.366539D+00  0.238360D+01  0.274358D+01  0.203313D+01
      3   0.810754D+01  0.840884D+01  0.294196D+01 -0.153381D+02  0.176127D+01
      4   0.381539D+01  0.560482D+01  0.314088D+01 -0.333808D+01  0.409167D+01
      5   0.601142D+01 -0.124781D+02 -0.356225D+01  0.549408D+01 -0.356066D+01
      6   0.627270D+01 -0.665310D+01 -0.585744D+01  0.704836D+01 -0.318191D+01
               131           132           133           134           135 
      1  -0.417701D+01  0.380231D+01  0.878118D+01  0.349301D+01 -0.107922D+02
      2   0.197458D+01 -0.100277D+01  0.151576D+01 -0.699925D+00 -0.427985D+01
      3   0.220244D+01 -0.279954D+01 -0.102969D+02 -0.279308D+01  0.150721D+02
      4   0.154518D+01  0.417408D+00 -0.248529D+01  0.436464D-01  0.206760D+01
      5   0.154915D+00  0.708654D+00  0.801879D+01  0.143460D+01 -0.462834D+01
      6  -0.392120D+01  0.677059D+01  0.423601D+01  0.612506D+01 -0.583048D+01
               136           137           138           139           140 
      1   0.114083D+02 -0.373370D+01  0.171773D+01 -0.500256D+01 -0.224433D+01
      2  -0.733143D+01  0.257186D-01 -0.564414D+01  0.690927D+00  0.558461D+01
      3  -0.407688D+01  0.370798D+01  0.392641D+01  0.431164D+01 -0.334029D+01
      4  -0.149308D+02  0.139523D+02 -0.824066D+01  0.144719D+02 -0.152094D+02
      5   0.188532D+02 -0.114290D+02  0.162246D+02 -0.126077D+02  0.126659D+02
      6  -0.108344D+02  0.113763D+02 -0.872303D+01  0.104111D+02 -0.145989D+02
               141           142           143           144           145 
      1   0.338869D+01  0.162774D+01  0.230361D+01 -0.213889D+01  0.100519D+01
      2   0.122185D+01 -0.428780D+01  0.898722D+00 -0.435478D+01 -0.261889D+01
      3  -0.461054D+01  0.266006D+01 -0.320233D+01  0.649368D+01  0.161370D+01
      4   0.905732D+01 -0.523317D+01  0.594338D+01 -0.701858D+01 -0.121773D+01
      5  -0.112828D+02  0.118137D+02 -0.753885D+01  0.113053D+02 -0.325066D+01
      6   0.129041D+02 -0.624487D+01  0.971243D+01 -0.927014D+01  0.803856D+00
               146           147           148           149           150 
      1  -0.136488D+01 -0.465117D+01 -0.172740D+01  0.667615D+00 -0.121448D+01
      2   0.475542D+00  0.248175D+01  0.481200D+00 -0.101706D+01  0.557160D+00
      3   0.889336D+00  0.216942D+01  0.124620D+01  0.349447D+00  0.657322D+00
      4   0.278285D+01  0.328391D+00  0.517662D+01 -0.148040D+00 -0.385393D+01
      5   0.164256D+00  0.609348D+01  0.704666D+00 -0.360929D+01 -0.126179D+01
      6   0.246409D-01  0.478466D+00 -0.125772D+01  0.135041D+01  0.624017D+01
               151           152           153           154           155 
      1  -0.830298D+01 -0.991043D+00 -0.124792D+02  0.156997D+02  0.863718D+01
      2   0.851016D+01  0.316512D+00 -0.191345D+02 -0.537917D+01 -0.273767D+01
      3  -0.207179D+00  0.674531D+00  0.316137D+02 -0.103206D+02 -0.589952D+01
      4   0.126023D+01 -0.591114D+01 -0.234161D+01  0.939617D+01  0.151321D+02
      5   0.151094D+02 -0.177133D+01 -0.436974D+02  0.107129D+01  0.238785D+00
      6  -0.188129D+01  0.681399D+01  0.775195D+01 -0.104421D+01 -0.241498D+01
               156           157           158           159           160 
      1   0.274586D+01  0.184593D+02  0.106499D+02  0.339299D+00  0.841667D+01
      2  -0.819403D+00 -0.793712D+01  0.269576D+01  0.128824D+01 -0.361440D+01
      3  -0.192645D+01 -0.105222D+02 -0.133457D+02 -0.162754D+01 -0.480227D+01
      4   0.104511D+01  0.182203D+02  0.289993D+02  0.284937D+01  0.262386D+01
      5   0.344022D+01 -0.191429D+01  0.287979D+01  0.811234D+01  0.373663D+01
      6   0.545877D+00 -0.156346D+01 -0.474749D+01  0.186076D+01  0.109177D+01
               161           162           163           164           165 
      1   0.170747D+01  0.491059D+00  0.420103D+02 -0.171203D+02  0.481811D+01
      2   0.267696D+00 -0.173879D+01 -0.161308D+02  0.447363D+01 -0.129686D+01
      3  -0.197516D+01  0.124773D+01 -0.258795D+02  0.126467D+02 -0.352125D+01
      4   0.633931D+01  0.420582D+01 -0.250095D+02  0.209737D+02 -0.250958D+01
      5   0.472826D+01  0.607847D+00  0.839429D+00 -0.394368D+00  0.739825D+01
      6   0.169337D+01  0.117913D+01  0.169167D+01 -0.245377D+01 -0.148492D+01
               166           167           168           169           170 
      1  -0.243485D+02  0.133714D+02 -0.139909D+01  0.131866D+02 -0.379513D+01
      2   0.648821D+01  0.228080D+01 -0.107281D+01 -0.479837D+01  0.554296D-01
      3   0.178603D+02 -0.156522D+02  0.247189D+01 -0.838823D+01  0.373970D+01
      4   0.261305D+02 -0.225871D+02  0.339823D+01 -0.704754D+01  0.742082D+01
      5   0.660650D+00  0.185910D+01 -0.751025D+01  0.731795D+01 -0.490210D+01
      6  -0.222162D+01  0.152629D+01  0.317063D+01 -0.182872D+01  0.206984D+01
               171 
      1   0.316527D+01
      2  -0.260716D+01
      3  -0.558110D+00
      4  -0.526984D+01
      5   0.207863D+01
      6  -0.888973D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:39:10 2021, MaxMem=  5637144576 cpu:            8245.7 elap:            1033.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.99763 -18.94273 -14.15162 -10.20168 -10.10622
 Alpha  occ. eigenvalues --  -10.07876 -10.05854 -10.05251  -1.22765  -1.13497
 Alpha  occ. eigenvalues --   -1.01713  -0.92182  -0.84137  -0.81435  -0.73207
 Alpha  occ. eigenvalues --   -0.68885  -0.64622  -0.61232  -0.60325  -0.58034
 Alpha  occ. eigenvalues --   -0.55789  -0.55313  -0.52538  -0.52155  -0.49572
 Alpha  occ. eigenvalues --   -0.48424  -0.46063  -0.45376  -0.44457  -0.43335
 Alpha  occ. eigenvalues --   -0.39120  -0.34849
 Alpha virt. eigenvalues --    0.02819   0.03601   0.04281   0.04568   0.05837
 Alpha virt. eigenvalues --    0.06382   0.06798   0.07080   0.07390   0.07869
 Alpha virt. eigenvalues --    0.08732   0.09962   0.10984   0.12128   0.12938
 Alpha virt. eigenvalues --    0.13194   0.13914   0.14213   0.14622   0.14913
 Alpha virt. eigenvalues --    0.15499   0.15823   0.16932   0.17417   0.18309
 Alpha virt. eigenvalues --    0.18623   0.19027   0.19345   0.19577   0.20016
 Alpha virt. eigenvalues --    0.21262   0.22254   0.22712   0.23796   0.24614
 Alpha virt. eigenvalues --    0.25445   0.26025   0.26550   0.26682   0.27614
 Alpha virt. eigenvalues --    0.28532   0.29353   0.29651   0.29880   0.31505
 Alpha virt. eigenvalues --    0.32182   0.32538   0.33069   0.33656   0.34414
 Alpha virt. eigenvalues --    0.34484   0.35729   0.36070   0.37787   0.38627
 Alpha virt. eigenvalues --    0.39797   0.41115   0.41262   0.41410   0.42664
 Alpha virt. eigenvalues --    0.42802   0.43591   0.44141   0.44512   0.45211
 Alpha virt. eigenvalues --    0.45966   0.46362   0.47642   0.48547   0.49880
 Alpha virt. eigenvalues --    0.50763   0.51102   0.51609   0.52933   0.53304
 Alpha virt. eigenvalues --    0.53611   0.54633   0.54818   0.55887   0.56630
 Alpha virt. eigenvalues --    0.57264   0.58039   0.58213   0.59363   0.60159
 Alpha virt. eigenvalues --    0.61023   0.62637   0.62746   0.63702   0.63845
 Alpha virt. eigenvalues --    0.65799   0.66552   0.67639   0.67706   0.69506
 Alpha virt. eigenvalues --    0.70378   0.70678   0.71828   0.72370   0.73178
 Alpha virt. eigenvalues --    0.74347   0.74780   0.76051   0.76350   0.77646
 Alpha virt. eigenvalues --    0.78473   0.79456   0.81204   0.81346   0.82618
 Alpha virt. eigenvalues --    0.83505   0.84997   0.85262   0.86217   0.86488
 Alpha virt. eigenvalues --    0.88299   0.88817   0.90559   0.90774   0.92534
 Alpha virt. eigenvalues --    0.94473   0.95207   0.97995   0.98790   0.99604
 Alpha virt. eigenvalues --    1.00675   1.01603   1.04187   1.05066   1.05736
 Alpha virt. eigenvalues --    1.08207   1.08899   1.10876   1.12587   1.14131
 Alpha virt. eigenvalues --    1.15612   1.16419   1.18911   1.19125   1.20840
 Alpha virt. eigenvalues --    1.21921   1.23126   1.25583   1.26657   1.28517
 Alpha virt. eigenvalues --    1.30198   1.33148   1.34067   1.36154   1.37581
 Alpha virt. eigenvalues --    1.41779   1.43516   1.44309   1.47542   1.48620
 Alpha virt. eigenvalues --    1.49211   1.50706   1.53488   1.56693   1.57793
 Alpha virt. eigenvalues --    1.59272   1.62099   1.63424   1.65842   1.67710
 Alpha virt. eigenvalues --    1.69006   1.69657   1.73030   1.74310   1.75798
 Alpha virt. eigenvalues --    1.78100   1.79548   1.82322   1.84772   1.86748
 Alpha virt. eigenvalues --    1.87193   1.88644   1.90345   1.91177   1.92015
 Alpha virt. eigenvalues --    1.93625   1.95591   1.96031   1.97667   1.98453
 Alpha virt. eigenvalues --    2.00528   2.01947   2.03208   2.07425   2.10230
 Alpha virt. eigenvalues --    2.10981   2.12141   2.14791   2.15884   2.17174
 Alpha virt. eigenvalues --    2.19810   2.20548   2.21482   2.23378   2.25598
 Alpha virt. eigenvalues --    2.26186   2.28365   2.29545   2.29770   2.31632
 Alpha virt. eigenvalues --    2.35349   2.36441   2.38688   2.40231   2.41792
 Alpha virt. eigenvalues --    2.42724   2.43792   2.46939   2.47696   2.50392
 Alpha virt. eigenvalues --    2.54909   2.58734   2.59683   2.61772   2.62983
 Alpha virt. eigenvalues --    2.65400   2.67845   2.70636   2.74847   2.75685
 Alpha virt. eigenvalues --    2.79353   2.83448   2.84657   2.87502   2.89697
 Alpha virt. eigenvalues --    2.95359   2.97998   3.02066   3.04772   3.09985
 Alpha virt. eigenvalues --    3.20347   3.21981   3.33504   3.40943   3.46366
 Alpha virt. eigenvalues --    3.47862   3.49352   3.50249   3.51784   3.52801
 Alpha virt. eigenvalues --    3.59431   3.61048   3.73567   3.77991   3.91301
 Alpha virt. eigenvalues --    4.11093
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.042193  -0.361634   0.381914  -0.237149   0.023976  -0.268702
     2  C   -0.361634   7.850866  -1.626514   0.366623   0.005130   0.317876
     3  C    0.381914  -1.626514  10.385259  -2.101250  -0.064539  -0.431861
     4  C   -0.237149   0.366623  -2.101250   7.575884  -0.101444  -0.037581
     5  O    0.023976   0.005130  -0.064539  -0.101444   8.297175   0.035245
     6  C   -0.268702   0.317876  -0.431861  -0.037581   0.035245   4.567162
     7  N   -0.018195   0.165303  -0.601933   0.183364   0.045020   0.057013
     8  O    0.033056   0.004822   0.161793  -0.046198  -0.002851   0.001750
     9  H   -0.160912   0.471431  -1.024099  -0.031514  -0.041943   0.111794
    10  H   -0.029318  -1.031969   0.390241  -0.092272  -0.018908   0.040152
    11  H   -0.006093  -0.003273   0.054855  -0.084315   0.267572  -0.005284
    12  H   -0.008623   0.022971  -0.028223  -0.114978  -0.003531   0.005177
    13  H    0.013886  -0.087500  -0.074201   0.018628   0.002513  -0.002346
    14  H   -0.152356   0.120018  -0.139260   0.028871  -0.008717   0.236351
    15  H   -0.107357   0.203887  -0.279790   0.096297  -0.004102   0.295685
    16  H    0.122306  -0.030594   0.171348  -0.035536   0.006273   0.074104
    17  H    0.037688   0.365508  -0.128787   0.034668   0.002126  -0.030444
    18  H    0.381184  -0.256961  -0.007935   0.030492   0.001528  -0.102283
    19  H    0.196325   0.136760   0.084879  -0.049482  -0.000354   0.032446
               7          8          9         10         11         12
     1  C   -0.018195   0.033056  -0.160912  -0.029318  -0.006093  -0.008623
     2  C    0.165303   0.004822   0.471431  -1.031969  -0.003273   0.022971
     3  C   -0.601933   0.161793  -1.024099   0.390241   0.054855  -0.028223
     4  C    0.183364  -0.046198  -0.031514  -0.092272  -0.084315  -0.114978
     5  O    0.045020  -0.002851  -0.041943  -0.018908   0.267572  -0.003531
     6  C    0.057013   0.001750   0.111794   0.040152  -0.005284   0.005177
     7  N    6.667076  -0.001944   0.038286  -0.065224  -0.002698   0.311324
     8  O   -0.001944   8.402970  -0.041082  -0.006439  -0.043118   0.022236
     9  H    0.038286  -0.041082   2.158531  -0.046471   0.013137   0.040297
    10  H   -0.065224  -0.006439  -0.046471   2.467313   0.000949  -0.000485
    11  H   -0.002698  -0.043118   0.013137   0.000949   0.610400  -0.000695
    12  H    0.311324   0.022236   0.040297  -0.000485  -0.000695   0.857804
    13  H    0.308953   0.000945   0.017505  -0.009587   0.000560  -0.111850
    14  H   -0.016573  -0.006531   0.007634   0.094124  -0.000089   0.019697
    15  H    0.039299   0.007394   0.019124  -0.017943   0.004131  -0.000409
    16  H   -0.016299  -0.000127   0.008411  -0.102395  -0.000438   0.001417
    17  H    0.013368   0.000530  -0.037351  -0.084406  -0.000042   0.003911
    18  H    0.021668   0.001547  -0.020434   0.137096   0.000404  -0.002808
    19  H   -0.019406   0.001839   0.022263  -0.117833  -0.000924  -0.003170
              13         14         15         16         17         18
     1  C    0.013886  -0.152356  -0.107357   0.122306   0.037688   0.381184
     2  C   -0.087500   0.120018   0.203887  -0.030594   0.365508  -0.256961
     3  C   -0.074201  -0.139260  -0.279790   0.171348  -0.128787  -0.007935
     4  C    0.018628   0.028871   0.096297  -0.035536   0.034668   0.030492
     5  O    0.002513  -0.008717  -0.004102   0.006273   0.002126   0.001528
     6  C   -0.002346   0.236351   0.295685   0.074104  -0.030444  -0.102283
     7  N    0.308953  -0.016573   0.039299  -0.016299   0.013368   0.021668
     8  O    0.000945  -0.006531   0.007394  -0.000127   0.000530   0.001547
     9  H    0.017505   0.007634   0.019124   0.008411  -0.037351  -0.020434
    10  H   -0.009587   0.094124  -0.017943  -0.102395  -0.084406   0.137096
    11  H    0.000560  -0.000089   0.004131  -0.000438  -0.000042   0.000404
    12  H   -0.111850   0.019697  -0.000409   0.001417   0.003911  -0.002808
    13  H    0.959950  -0.008725   0.002239  -0.004168  -0.008614  -0.011606
    14  H   -0.008725   1.661747  -0.236533  -0.414136   0.004124  -0.014720
    15  H    0.002239  -0.236533   1.594438  -0.399038  -0.016344   0.000241
    16  H   -0.004168  -0.414136  -0.399038   1.814659   0.019897  -0.009322
    17  H   -0.008614   0.004124  -0.016344   0.019897   1.693012  -0.292608
    18  H   -0.011606  -0.014720   0.000241  -0.009322  -0.292608   1.845649
    19  H    0.006726  -0.022829   0.008754   0.003086  -0.383769  -0.466426
              19
     1  C    0.196325
     2  C    0.136760
     3  C    0.084879
     4  C   -0.049482
     5  O   -0.000354
     6  C    0.032446
     7  N   -0.019406
     8  O    0.001839
     9  H    0.022263
    10  H   -0.117833
    11  H   -0.000924
    12  H   -0.003170
    13  H    0.006726
    14  H   -0.022829
    15  H    0.008754
    16  H    0.003086
    17  H   -0.383769
    18  H   -0.466426
    19  H    1.757421
 Mulliken charges:
               1
     1  C    1.117812
     2  C   -0.632750
     3  C    0.878100
     4  C    0.596893
     5  O   -0.440168
     6  C    1.103746
     7  N   -0.108402
     8  O   -0.490593
     9  H   -0.504606
    10  H   -0.506624
    11  H    0.194959
    12  H   -0.010063
    13  H   -0.013308
    14  H   -0.152097
    15  H   -0.209973
    16  H   -0.209447
    17  H   -0.192469
    18  H   -0.234706
    19  H   -0.186303
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.504334
     2  C   -1.139374
     3  C    0.373494
     4  C    0.596893
     5  O   -0.245210
     6  C    0.532229
     7  N   -0.131773
     8  O   -0.490593
 Electronic spatial extent (au):  <R**2>=           1044.5758
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.6201    Y=             -1.7528    Z=             -0.1387  Tot=              2.3909
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.4742   YY=            -51.1145   ZZ=            -51.9614
   XY=              5.9398   XZ=              1.5938   YZ=              0.6355
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.7091   YY=             -0.9311   ZZ=             -1.7780
   XY=              5.9398   XZ=              1.5938   YZ=              0.6355
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -22.4218  YYY=             -6.7389  ZZZ=             -2.5731  XYY=             -2.0782
  XXY=            -14.5591  XXZ=             -6.8978  XZZ=              0.0058  YZZ=             -0.4285
  YYZ=              8.2957  XYZ=              1.3078
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -739.1387 YYYY=           -321.8991 ZZZZ=           -272.1105 XXXY=             53.4239
 XXXZ=             21.7133 YYYX=             28.2977 YYYZ=             20.8578 ZZZX=             -3.3501
 ZZZY=              5.0208 XXYY=           -156.1090 XXZZ=           -186.0970 YYZZ=           -102.4617
 XXYZ=             -4.4846 YYXZ=             -2.1574 ZZXY=              1.3481
 N-N= 4.086814012426D+02 E-N=-1.755522526055D+03  KE= 3.991158241395D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:39:11 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.04591913D-01-6.48839473D-01-5.52847422D-02
 Polarizability= 8.22684465D+01 7.08672778D-01 7.16520698D+01
                -2.79312531D+00 2.52988296D+00 6.99314743D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.2168    1.2170        0.0535    0.0532
 2     -1.2168   -1.2170       -1.0128   -1.0135       -5.1764   -5.1769
 3     -0.0535   -0.0532        6.1950    6.1952        1.0132    1.0135
 4      1.0128    1.0135       -0.0000    0.0000       -0.0544   -0.0532
 5     -1.0186   -1.0183        0.0544    0.0532        1.2162    1.2170
 6     -1.0132   -1.0135       -1.2162   -1.2170       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.6511   -3.6511        0.1596    0.1596
 2      3.0405    3.0405       -0.0000    0.0000        0.1596    0.1596
 3      3.0405    3.0405       -3.6511   -3.6511       -0.0000    0.0000
 4     -3.6511   -3.6511       -3.0405   -3.0405      -15.5306  -15.5306
 5     -0.1596   -0.1596       18.5856   18.5856        3.0405    3.0405
 6     -3.0550   -3.0550        0.1596    0.1596        3.6511    3.6511
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0159    0.0000       -4.8873   -4.8682       -0.2458   -0.2129
 2      4.8808    4.8682        4.0575    4.0540       20.6947   20.7075
 3      0.2098    0.2129      -24.8131  -24.7808       -4.0663   -4.0540
 4     -4.0491   -4.0540        0.0013    0.0000        0.2195    0.2129
 5      4.0962    4.0733       -0.2119   -0.2129       -4.8714   -4.8682
 6      4.0598    4.0540        4.8760    4.8682        0.0080    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0321    0.0000        6.2959    6.2884       -6.9908   -6.9769
 2     -6.3038   -6.2884        4.7688    4.7315        9.4211    9.4033
 3      7.0049    6.9769       21.4717   21.4659       -4.7089   -4.7315
 4     -4.7705   -4.7315        0.0044    0.0000        7.0041    6.9769
 5    -30.8630  -30.8692       -7.0070   -6.9769        6.2966    6.2884
 6      4.7446    4.7315       -6.2923   -6.2884       -0.0050    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -8.8077   -8.8568       18.5627   18.5952        8.9899    8.9869
 2    -16.1499  -16.1576       24.0694   24.0955        8.9923    8.9869
 3    -16.1508  -16.1576       18.5600   18.5952       11.7660   11.7541
 4     -5.4892   -5.5003        7.3432    7.3008       22.7878   22.8084
 5      2.7888    2.7672       38.4462   38.4177       -7.2580   -7.3008
 6    -61.2428  -61.2262       -2.7484   -2.7672        5.5527    5.5003
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0005    0.0007    0.0008    3.6031    6.8614    7.4295
 Low frequencies ---   55.9674   84.3057  177.0238
 Diagonal vibrational polarizability:
       22.7649292      24.8036039      20.1728203
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     55.9657                84.3054               177.0235
 Red. masses --      4.2165                 3.7206                 3.2649
 Frc consts  --      0.0078                 0.0156                 0.0603
 IR Inten    --      0.9726                 0.7299                 1.1156
 RamAct Fr= 1--      0.8139                 0.4877                 0.5271
  Dep-P Fr= 1--      0.7500                 0.7494                 0.6499
  Dep-U Fr= 1--      0.8571                 0.8568                 0.7878
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0009
 Beta2  Fr= 1--      0.1163                 0.0696                 0.0692
 AlphaG Fr= 1--     -0.0000                 0.0001                 0.0011
 Gamma2 Fr= 1--     -0.1660                 0.2820                 0.2103
 Delta2 Fr= 1--     -0.1898                 0.3048                 0.0900
 Raman1 Fr= 1--       3.256                  1.951                  2.108
 ROA1   Fr= 1--     -22.007                 36.829                 23.065
 CID1   Fr= 1--      -6.759                 18.878                 10.940
 Raman2 Fr= 1--       1.395                  0.836                  0.830
 ROA2   Fr= 1--      -2.465                  4.330                  4.326
 CID2   Fr= 1--      -1.767                  5.182                  5.209
 Raman3 Fr= 1--       2.791                  1.671                  1.661
 ROA3   Fr= 1--     -22.007                 36.829                 23.065
 CID3   Fr= 1--      -7.886                 22.035                 13.887
 RC180  Fr= 1--       0.714                  0.714                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.13   0.03    -0.06  -0.15  -0.14    -0.04  -0.13   0.01
     2   6     0.00  -0.01  -0.09    -0.02   0.00   0.02    -0.10   0.04  -0.06
     3   6    -0.00   0.02  -0.02     0.00   0.05   0.08    -0.01   0.13  -0.07
     4   6     0.00   0.04   0.02    -0.02   0.01  -0.03     0.06   0.02  -0.00
     5   8     0.10  -0.13   0.24     0.13  -0.08   0.03     0.18  -0.05   0.04
     6   6    -0.09  -0.23  -0.08     0.13   0.09   0.01    -0.20   0.02  -0.05
     7   7     0.03   0.01  -0.00     0.01   0.02   0.21    -0.01   0.12  -0.01
     8   8    -0.08   0.19  -0.13    -0.17   0.06  -0.16     0.08  -0.10   0.09
     9   1    -0.05   0.03  -0.02     0.03   0.14   0.07    -0.02   0.18  -0.07
    10   1     0.06   0.02  -0.25    -0.12   0.01   0.11    -0.20   0.08  -0.07
    11   1     0.09  -0.09   0.24     0.09  -0.09  -0.07     0.26  -0.20   0.13
    12   1    -0.06   0.03  -0.04    -0.12  -0.03   0.17     0.17   0.05   0.08
    13   1     0.05  -0.03   0.09     0.03  -0.01   0.37    -0.02   0.15  -0.17
    14   1    -0.24  -0.24   0.08     0.35   0.06  -0.09     0.03  -0.05  -0.03
    15   1    -0.09  -0.41  -0.18     0.12   0.30   0.10    -0.30   0.27  -0.12
    16   1    -0.03  -0.19  -0.14     0.03  -0.03  -0.01    -0.41  -0.17   0.01
    17   1     0.09   0.35   0.02    -0.17  -0.30  -0.13     0.02  -0.23   0.01
    18   1     0.01   0.08   0.25     0.01  -0.12  -0.33     0.03  -0.14  -0.05
    19   1     0.02   0.07  -0.08    -0.06  -0.13  -0.11    -0.13  -0.18   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --    216.1581               221.7042               246.4993
 Red. masses --      1.1650                 1.1832                 1.0428
 Frc consts  --      0.0321                 0.0343                 0.0373
 IR Inten    --     17.5011                16.6063                 4.8632
 RamAct Fr= 1--      0.2303                 0.1445                 0.0848
  Dep-P Fr= 1--      0.3615                 0.4024                 0.6759
  Dep-U Fr= 1--      0.5311                 0.5739                 0.8066
 Alpha2 Fr= 1--      0.0019                 0.0011                 0.0001
 Beta2  Fr= 1--      0.0204                 0.0138                 0.0114
 AlphaG Fr= 1--     -0.0025                 0.0014                 0.0005
 Gamma2 Fr= 1--      0.1612                 0.0707                 0.0593
 Delta2 Fr= 1--      0.0282                -0.0132                -0.0394
 Raman1 Fr= 1--       0.921                  0.578                  0.339
 ROA1   Fr= 1--      16.378                  6.363                  4.427
 CID1   Fr= 1--      17.776                 11.008                 13.056
 Raman2 Fr= 1--       0.245                  0.166                  0.137
 ROA2   Fr= 1--       3.643                  1.801                  1.737
 CID2   Fr= 1--      14.892                 10.862                 12.705
 Raman3 Fr= 1--       0.489                  0.332                  0.273
 ROA3   Fr= 1--      16.378                  6.363                  4.427
 CID3   Fr= 1--      33.473                 19.181                 16.186
 RC180  Fr= 1--       0.062                  0.148                  0.613
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04  -0.02     0.02   0.04   0.01     0.01   0.00   0.02
     2   6    -0.01   0.00  -0.01     0.01   0.00  -0.03    -0.01   0.01   0.00
     3   6     0.00   0.01  -0.02     0.01  -0.02  -0.03    -0.01  -0.00  -0.01
     4   6     0.02  -0.00  -0.01     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     5   8     0.01  -0.00   0.00    -0.05  -0.00   0.02    -0.01  -0.01  -0.00
     6   6    -0.05   0.06  -0.01    -0.03   0.00  -0.02     0.02   0.02   0.00
     7   7     0.03  -0.00   0.02    -0.00  -0.03   0.02     0.00   0.00  -0.03
     8   8     0.04  -0.01   0.02     0.05   0.02   0.00     0.00  -0.01   0.01
     9   1    -0.00   0.01  -0.02     0.00  -0.01  -0.04    -0.01  -0.03  -0.01
    10   1    -0.02  -0.00   0.01     0.04  -0.01  -0.03    -0.01   0.01   0.00
    11   1     0.02  -0.01   0.03    -0.04   0.03   0.05    -0.01  -0.01   0.01
    12   1    -0.39   0.03  -0.15    -0.37  -0.02  -0.13    -0.20   0.04  -0.12
    13   1     0.08  -0.11   0.50     0.04  -0.10   0.45     0.03  -0.07   0.21
    14   1    -0.45   0.18  -0.03     0.25  -0.08  -0.02     0.31  -0.05  -0.03
    15   1     0.03  -0.30  -0.03    -0.12   0.29  -0.05    -0.04   0.30   0.03
    16   1     0.21   0.35   0.02    -0.25  -0.21   0.01    -0.17  -0.18   0.01
    17   1    -0.04   0.04  -0.02     0.12  -0.26   0.02    -0.07   0.45   0.00
    18   1     0.07  -0.09   0.04    -0.14   0.17  -0.22     0.21  -0.18   0.40
    19   1    -0.06  -0.12  -0.09     0.11   0.24   0.27    -0.11  -0.27  -0.32
                      7                      8                      9
                      A                      A                      A
 Frequencies --    277.7104               296.1279               345.7699
 Red. masses --      2.3911                 3.2290                 3.6382
 Frc consts  --      0.1087                 0.1668                 0.2563
 IR Inten    --      4.8778                 0.9278                 0.2552
 RamAct Fr= 1--      0.4177                 0.5449                 0.7152
  Dep-P Fr= 1--      0.2528                 0.3214                 0.4235
  Dep-U Fr= 1--      0.4036                 0.4864                 0.5950
 Alpha2 Fr= 1--      0.0049                 0.0052                 0.0049
 Beta2  Fr= 1--      0.0281                 0.0442                 0.0709
 AlphaG Fr= 1--     -0.0053                 0.0004                 0.0005
 Gamma2 Fr= 1--     -0.3187                 0.1262                 0.0121
 Delta2 Fr= 1--      0.0013                 0.0784                -0.0717
 Raman1 Fr= 1--       1.671                  2.180                  2.861
 ROA1   Fr= 1--     -30.553                 14.623                 -1.131
 CID1   Fr= 1--     -18.287                  6.709                 -0.395
 Raman2 Fr= 1--       0.337                  0.530                  0.851
 ROA2   Fr= 1--      -7.659                  2.402                  0.864
 CID2   Fr= 1--     -22.717                  4.530                  1.015
 Raman3 Fr= 1--       0.674                  1.060                  1.702
 ROA3   Fr= 1--     -30.553                 14.623                 -1.131
 CID3   Fr= 1--     -45.313                 13.792                 -0.664
 RC180  Fr= 1--      -0.193                 -0.027                  0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03   0.01    -0.17   0.16  -0.08    -0.18   0.06  -0.10
     2   6     0.02  -0.02  -0.08    -0.06  -0.03   0.04    -0.03  -0.03   0.12
     3   6     0.00  -0.04  -0.04    -0.01  -0.04   0.03     0.05  -0.03  -0.01
     4   6    -0.01  -0.03  -0.03    -0.01   0.01   0.03     0.10  -0.01  -0.10
     5   8    -0.09  -0.04   0.04     0.08   0.00  -0.03     0.02  -0.03  -0.01
     6   6    -0.09   0.16  -0.08    -0.08   0.03   0.05    -0.05  -0.05   0.14
     7   7     0.05  -0.10   0.18     0.28  -0.07  -0.05    -0.14  -0.03   0.06
     8   8     0.04   0.02  -0.03    -0.07  -0.06   0.04     0.24   0.10  -0.08
     9   1    -0.01   0.11  -0.06    -0.05  -0.10   0.04     0.23  -0.01  -0.01
    10   1     0.08  -0.06  -0.03     0.01  -0.05   0.06    -0.04  -0.03   0.14
    11   1    -0.09   0.04   0.08     0.09  -0.09  -0.07     0.03   0.03   0.05
    12   1     0.45  -0.29   0.38     0.24   0.09  -0.10    -0.05  -0.17   0.13
    13   1     0.02  -0.04  -0.23     0.36  -0.33   0.07    -0.20   0.18  -0.10
    14   1    -0.11   0.21  -0.21     0.00   0.02   0.01    -0.03  -0.07   0.18
    15   1    -0.13   0.24  -0.12    -0.11   0.14   0.03    -0.07  -0.04   0.10
    16   1    -0.13   0.21   0.09    -0.15  -0.02   0.10    -0.09  -0.09   0.13
    17   1     0.11   0.20   0.00    -0.30   0.14  -0.07    -0.49   0.18  -0.09
    18   1     0.06  -0.02   0.18    -0.29   0.22  -0.14    -0.18   0.06  -0.11
    19   1     0.02  -0.03  -0.06     0.01   0.30  -0.17    -0.03   0.07  -0.40
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.8302               447.5626               579.5146
 Red. masses --      2.4333                 3.9923                 1.6063
 Frc consts  --      0.2269                 0.4712                 0.3178
 IR Inten    --      1.1885                 7.8298                62.4659
 RamAct Fr= 1--      0.6189                 1.3860                 0.9897
  Dep-P Fr= 1--      0.3814                 0.2366                 0.3977
  Dep-U Fr= 1--      0.5522                 0.3826                 0.5690
 Alpha2 Fr= 1--      0.0049                 0.0171                 0.0074
 Beta2  Fr= 1--      0.0570                 0.0884                 0.0939
 AlphaG Fr= 1--     -0.0091                 0.0035                -0.0096
 Gamma2 Fr= 1--      0.1747                 0.0541                -0.4894
 Delta2 Fr= 1--     -0.0009                -0.0635                -0.0957
 Raman1 Fr= 1--       2.476                  5.544                  3.959
 ROA1   Fr= 1--      16.746                  3.165                -50.047
 CID1   Fr= 1--       6.764                  0.571                -12.642
 Raman2 Fr= 1--       0.684                  1.061                  1.126
 ROA2   Fr= 1--       4.201                  1.806                -10.980
 CID2   Fr= 1--       6.145                  1.703                 -9.748
 Raman3 Fr= 1--       1.367                  2.121                  2.253
 ROA3   Fr= 1--      16.746                  3.165                -50.047
 CID3   Fr= 1--      12.249                  1.492                -22.215
 RC180  Fr= 1--       0.104                 -0.235                  0.138
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12   0.02   0.16    -0.05   0.01   0.06    -0.05  -0.00   0.02
     2   6    -0.16  -0.03  -0.02    -0.04  -0.18  -0.07    -0.02  -0.06  -0.02
     3   6    -0.06   0.05  -0.08    -0.03  -0.12   0.03     0.06   0.03   0.07
     4   6    -0.02   0.02  -0.10     0.04   0.06   0.13     0.08  -0.08   0.04
     5   8    -0.01  -0.05   0.00     0.23   0.13  -0.06    -0.02  -0.05   0.04
     6   6     0.15  -0.00  -0.04     0.00   0.04  -0.11    -0.01   0.01  -0.05
     7   7     0.05   0.01   0.02    -0.14  -0.15  -0.00     0.02   0.09  -0.01
     8   8     0.08  -0.01  -0.01    -0.01   0.12   0.06     0.01  -0.03  -0.04
     9   1     0.03   0.09  -0.09    -0.18  -0.15   0.03     0.03   0.05   0.07
    10   1    -0.17  -0.02  -0.01    -0.02  -0.18  -0.06    -0.09  -0.03  -0.06
    11   1     0.09  -0.13   0.18     0.14  -0.05  -0.37    -0.45   0.58  -0.49
    12   1     0.08  -0.05   0.05    -0.23  -0.13  -0.05    -0.04   0.20  -0.06
    13   1     0.08  -0.08   0.05    -0.21   0.07  -0.05     0.00   0.14  -0.03
    14   1     0.22   0.02  -0.16     0.03   0.13  -0.38    -0.01   0.05  -0.18
    15   1     0.33  -0.06   0.28     0.02   0.19   0.01    -0.00   0.07  -0.01
    16   1     0.34   0.07  -0.28     0.02   0.13   0.03     0.01   0.06   0.02
    17   1     0.10   0.04   0.15     0.10   0.13   0.05    -0.02   0.05   0.02
    18   1    -0.25   0.04   0.26    -0.26   0.04   0.23    -0.17   0.02   0.08
    19   1    -0.13   0.08   0.31     0.04   0.11   0.08     0.01   0.07   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    595.4457               661.8544               713.3014
 Red. masses --      1.9263                 2.9959                 3.2490
 Frc consts  --      0.4024                 0.7732                 0.9740
 IR Inten    --     31.9309                23.4973                24.9446
 RamAct Fr= 1--      1.7431                 1.9989                11.9563
  Dep-P Fr= 1--      0.3906                 0.3728                 0.0269
  Dep-U Fr= 1--      0.5618                 0.5431                 0.0523
 Alpha2 Fr= 1--      0.0133                 0.0163                 0.2495
 Beta2  Fr= 1--      0.1632                 0.1809                 0.1042
 AlphaG Fr= 1--     -0.0233                -0.0316                 0.1174
 Gamma2 Fr= 1--     -0.3103                -0.3013                -0.1076
 Delta2 Fr= 1--      0.3532                -0.0015                -0.0096
 Raman1 Fr= 1--       6.972                  7.996                 47.825
 ROA1   Fr= 1--     -18.485                -28.970                -10.635
 CID1   Fr= 1--      -2.651                 -3.623                 -0.222
 Raman2 Fr= 1--       1.958                  2.171                  1.251
 ROA2   Fr= 1--     -10.272                 -7.219                 -2.506
 CID2   Fr= 1--      -5.245                 -3.324                 -2.003
 Raman3 Fr= 1--       3.917                  4.343                  2.502
 ROA3   Fr= 1--     -18.485                -28.970                -10.635
 CID3   Fr= 1--      -4.719                 -6.671                 -4.252
 RC180  Fr= 1--       0.124                  0.086                 -0.895
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01     0.01  -0.00  -0.00    -0.11   0.01   0.05
     2   6    -0.05   0.18  -0.01     0.01  -0.04  -0.01    -0.05   0.17  -0.02
     3   6    -0.09  -0.03  -0.01    -0.05   0.00   0.20     0.10  -0.05   0.10
     4   6    -0.01  -0.06   0.06    -0.04  -0.12   0.08     0.20  -0.11   0.11
     5   8     0.05  -0.06  -0.04    -0.06  -0.11  -0.15    -0.04   0.12   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.00  -0.06    -0.02   0.03  -0.11
     7   7     0.01  -0.06   0.00     0.03   0.11  -0.01     0.01  -0.10   0.01
     8   8     0.06   0.08   0.02     0.09   0.14  -0.00    -0.03  -0.05  -0.12
     9   1    -0.18  -0.05  -0.01    -0.11   0.01   0.20    -0.03  -0.13   0.10
    10   1     0.03   0.14   0.04    -0.03  -0.01  -0.09    -0.06   0.17  -0.03
    11   1    -0.26   0.15  -0.59     0.24  -0.66   0.16     0.26  -0.01   0.59
    12   1     0.14  -0.13   0.07     0.01   0.42  -0.09    -0.09   0.07  -0.08
    13   1     0.08  -0.28   0.03     0.07  -0.02  -0.06    -0.07   0.10  -0.15
    14   1     0.04  -0.09   0.25    -0.05   0.05  -0.18     0.02  -0.05   0.07
    15   1     0.04  -0.12   0.01    -0.05   0.08  -0.08     0.02  -0.08  -0.09
    16   1     0.01  -0.10  -0.23    -0.03   0.06   0.10    -0.00  -0.07  -0.32
    17   1     0.03  -0.12   0.01     0.06   0.00  -0.00    -0.08  -0.10   0.05
    18   1     0.23  -0.06  -0.08    -0.03   0.00   0.03     0.07  -0.05  -0.01
    19   1    -0.19  -0.14   0.11     0.03   0.02   0.03    -0.29  -0.12   0.15
                     16                     17                     18
                      A                      A                      A
 Frequencies --    801.6191               859.5473               869.5482
 Red. masses --      1.8428                 2.3774                 2.8724
 Frc consts  --      0.6977                 1.0349                 1.2796
 IR Inten    --    181.7253                50.3793                 3.5335
 RamAct Fr= 1--      0.3806                 8.1054                 3.4264
  Dep-P Fr= 1--      0.2144                 0.0692                 0.2151
  Dep-U Fr= 1--      0.3531                 0.1294                 0.3540
 Alpha2 Fr= 1--      0.0050                 0.1529                 0.0447
 Beta2  Fr= 1--      0.0224                 0.1748                 0.2022
 AlphaG Fr= 1--      0.0040                -0.0148                -0.0004
 Gamma2 Fr= 1--      0.3830                -0.2434                 0.3395
 Delta2 Fr= 1--     -0.0587                -0.4164                 0.7322
 Raman1 Fr= 1--       1.522                 32.422                 13.705
 ROA1   Fr= 1--      34.887                -36.692                 56.024
 CID1   Fr= 1--      22.916                 -1.132                  4.088
 Raman2 Fr= 1--       0.269                  2.097                  2.426
 ROA2   Fr= 1--       9.660                 -2.511                  2.291
 CID2   Fr= 1--      35.942                 -1.197                  0.944
 Raman3 Fr= 1--       0.538                  4.194                  4.852
 ROA3   Fr= 1--      34.887                -36.692                 56.024
 CID3   Fr= 1--      64.900                 -8.748                 11.547
 RC180  Fr= 1--      -0.294                 -0.741                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.09  -0.00  -0.07    -0.07  -0.04   0.05
     2   6     0.00  -0.05  -0.02    -0.08  -0.04  -0.08     0.05   0.03   0.00
     3   6    -0.04  -0.01  -0.06    -0.09   0.08  -0.11     0.20   0.01  -0.20
     4   6     0.10  -0.09   0.10     0.08  -0.08   0.09    -0.02  -0.06   0.15
     5   8    -0.01   0.05  -0.01    -0.01   0.02  -0.02    -0.05  -0.07  -0.06
     6   6    -0.00  -0.00   0.05    -0.02  -0.00   0.18     0.00   0.03  -0.02
     7   7    -0.06   0.13  -0.05     0.06  -0.07   0.06     0.05   0.03   0.02
     8   8    -0.02   0.01  -0.05    -0.01   0.01  -0.04    -0.08   0.08   0.08
     9   1    -0.18  -0.00  -0.06    -0.33   0.15  -0.12     0.14   0.02  -0.20
    10   1    -0.02  -0.06   0.02    -0.11  -0.03  -0.05    -0.02   0.01   0.13
    11   1     0.08  -0.01   0.15     0.02   0.03   0.06    -0.02  -0.35  -0.19
    12   1     0.38  -0.46   0.30    -0.27   0.34  -0.20    -0.12  -0.29   0.02
    13   1     0.16  -0.45   0.38    -0.09   0.30  -0.30    -0.10   0.52   0.04
    14   1     0.01   0.01   0.02     0.06   0.00   0.10     0.03  -0.05   0.17
    15   1     0.02   0.01   0.10     0.07   0.01   0.38     0.01  -0.10  -0.06
    16   1     0.02   0.03   0.08     0.05   0.01   0.07    -0.02  -0.07  -0.17
    17   1     0.02   0.06  -0.01     0.27   0.09  -0.09    -0.23   0.05   0.06
    18   1    -0.09   0.02   0.03    -0.06   0.01   0.07    -0.23   0.02   0.04
    19   1     0.09   0.06  -0.03     0.13   0.07  -0.01     0.09   0.06  -0.10
                     19                     20                     21
                      A                      A                      A
 Frequencies --    938.1728               957.8676               973.5137
 Red. masses --      1.1992                 2.1984                 1.4825
 Frc consts  --      0.6219                 1.1884                 0.8278
 IR Inten    --      0.7586                 9.7476                 0.0542
 RamAct Fr= 1--      0.6339                 4.8132                 1.9038
  Dep-P Fr= 1--      0.4246                 0.7369                 0.7288
  Dep-U Fr= 1--      0.5961                 0.8485                 0.8431
 Alpha2 Fr= 1--      0.0043                 0.0011                 0.0007
 Beta2  Fr= 1--      0.0630                 0.6807                 0.2675
 AlphaG Fr= 1--     -0.0009                 0.0006                -0.0014
 Gamma2 Fr= 1--      0.3295                -1.3788                 0.3300
 Delta2 Fr= 1--      0.2447                -0.2532                 0.0823
 Raman1 Fr= 1--       2.536                 19.253                  7.615
 ROA1   Fr= 1--      39.466               -140.469                 34.315
 CID1   Fr= 1--      15.564                 -7.296                  4.506
 Raman2 Fr= 1--       0.756                  8.168                  3.210
 ROA2   Fr= 1--       5.951                -31.066                  7.262
 CID2   Fr= 1--       7.874                 -3.803                  2.262
 Raman3 Fr= 1--       1.512                 16.336                  6.421
 ROA3   Fr= 1--      39.466               -140.469                 34.315
 CID3   Fr= 1--      26.109                 -8.599                  5.344
 RC180  Fr= 1--       0.192                  0.697                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.07   0.01  -0.12    -0.12   0.04  -0.02
     2   6     0.04  -0.00  -0.02    -0.15   0.03  -0.05     0.04   0.02  -0.09
     3   6    -0.03  -0.00   0.02     0.17  -0.07   0.10     0.04   0.00  -0.02
     4   6    -0.00   0.01  -0.02    -0.04   0.04  -0.02    -0.00   0.00   0.01
     5   8     0.00   0.00   0.00    -0.01  -0.03  -0.00    -0.01  -0.01  -0.00
     6   6     0.06   0.06  -0.00    -0.06   0.02   0.06     0.07  -0.05   0.09
     7   7    -0.00  -0.00   0.00    -0.02   0.01  -0.04     0.00  -0.00  -0.01
     8   8     0.01  -0.01  -0.01    -0.01   0.00   0.03    -0.01   0.01   0.01
     9   1    -0.07   0.01   0.02     0.30  -0.11   0.11     0.05  -0.00  -0.02
    10   1    -0.13  -0.05   0.32    -0.36   0.10  -0.07     0.12   0.05  -0.28
    11   1     0.00   0.03   0.02    -0.01  -0.08  -0.04    -0.01  -0.03  -0.02
    12   1    -0.00   0.06  -0.01     0.08  -0.25   0.08    -0.00  -0.09   0.01
    13   1     0.01  -0.04  -0.01    -0.01   0.03   0.15    -0.01   0.05   0.02
    14   1    -0.10  -0.06   0.46     0.07  -0.01   0.02    -0.14   0.08  -0.10
    15   1    -0.10  -0.15  -0.43     0.08  -0.01   0.33    -0.09   0.15  -0.14
    16   1    -0.14  -0.15   0.03     0.06   0.02  -0.18    -0.03   0.09   0.56
    17   1     0.32   0.17  -0.06     0.52   0.14  -0.15     0.23  -0.11  -0.03
    18   1    -0.34  -0.03   0.29    -0.07  -0.01   0.15     0.14  -0.09   0.08
    19   1     0.04   0.11   0.13    -0.01   0.07   0.15    -0.47  -0.17   0.29
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1052.0243              1124.7188              1137.4624
 Red. masses --      1.7242                 2.3281                 2.8156
 Frc consts  --      1.1243                 1.7352                 2.1463
 IR Inten    --      8.3746                 6.7812               260.5224
 RamAct Fr= 1--      3.1300                 6.3074                 1.3578
  Dep-P Fr= 1--      0.4710                 0.5617                 0.4832
  Dep-U Fr= 1--      0.6403                 0.7193                 0.6515
 Alpha2 Fr= 1--      0.0176                 0.0225                 0.0072
 Beta2  Fr= 1--      0.3340                 0.7562                 0.1474
 AlphaG Fr= 1--      0.0096                -0.0081                -0.0133
 Gamma2 Fr= 1--      0.4023                 0.7274                 0.5440
 Delta2 Fr= 1--      0.0799                 0.4640                -0.1865
 Raman1 Fr= 1--      12.520                 25.230                  5.431
 ROA1   Fr= 1--      41.174                 84.679                 46.260
 CID1   Fr= 1--       3.289                  3.356                  8.517
 Raman2 Fr= 1--       4.008                  9.074                  1.769
 ROA2   Fr= 1--       9.016                 13.746                 14.549
 CID2   Fr= 1--       2.249                  1.515                  8.223
 Raman3 Fr= 1--       8.017                 18.148                  3.539
 ROA3   Fr= 1--      41.174                 84.679                 46.260
 CID3   Fr= 1--       5.136                  4.666                 13.073
 RC180  Fr= 1--       0.281                  0.439                  0.303
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.02     0.06   0.07  -0.08    -0.01  -0.06   0.02
     2   6     0.01   0.09   0.02    -0.12  -0.01   0.22     0.01   0.08  -0.05
     3   6     0.01   0.15   0.02    -0.05   0.02  -0.09    -0.00  -0.11  -0.02
     4   6     0.01  -0.00   0.02     0.01  -0.07   0.05    -0.14  -0.18  -0.04
     5   8    -0.01  -0.02  -0.01     0.00   0.04   0.01     0.03   0.18   0.13
     6   6     0.04  -0.06  -0.01     0.05  -0.07  -0.11     0.00  -0.02   0.03
     7   7    -0.02  -0.13  -0.04     0.03   0.02   0.02     0.01   0.06   0.03
     8   8    -0.01   0.01   0.01    -0.01   0.01  -0.01     0.05  -0.03  -0.06
     9   1     0.14   0.06   0.03     0.34  -0.21  -0.05     0.32   0.12  -0.05
    10   1    -0.45   0.30  -0.22    -0.20  -0.05   0.41     0.01   0.10  -0.15
    11   1    -0.01   0.00   0.00    -0.00  -0.08  -0.08    -0.01  -0.56  -0.45
    12   1     0.04  -0.12  -0.01    -0.05  -0.07   0.01     0.01   0.25  -0.02
    13   1     0.02  -0.29   0.00    -0.02   0.14  -0.04     0.04  -0.03  -0.07
    14   1    -0.10   0.06  -0.20    -0.15   0.05  -0.28    -0.03   0.02  -0.05
    15   1    -0.06   0.13  -0.11    -0.08   0.09  -0.29    -0.00   0.06   0.06
    16   1     0.01   0.10   0.33    -0.05   0.01   0.22     0.03   0.04   0.08
    17   1    -0.12   0.13   0.02     0.33  -0.01  -0.09    -0.08   0.09   0.01
    18   1    -0.27   0.05   0.04     0.25  -0.03   0.01    -0.22   0.02   0.04
    19   1     0.33   0.17  -0.14    -0.11  -0.03   0.12     0.16   0.08  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1168.6297              1199.7763              1239.8922
 Red. masses --      1.4293                 1.9225                 1.8982
 Frc consts  --      1.1500                 1.6305                 1.7194
 IR Inten    --      5.0577                 5.2905                21.6030
 RamAct Fr= 1--      3.0832                 1.5468                 2.5907
  Dep-P Fr= 1--      0.4783                 0.6391                 0.6923
  Dep-U Fr= 1--      0.6471                 0.7799                 0.8182
 Alpha2 Fr= 1--      0.0168                 0.0031                 0.0026
 Beta2  Fr= 1--      0.3325                 0.2010                 0.3533
 AlphaG Fr= 1--     -0.0652                 0.0000                -0.0066
 Gamma2 Fr= 1--     -0.6309                -0.6402                 0.2206
 Delta2 Fr= 1--      0.5347                -0.1153                 0.1324
 Raman1 Fr= 1--      12.333                  6.187                 10.363
 ROA1   Fr= 1--     -43.457                -65.152                 25.416
 CID1   Fr= 1--      -3.524                -10.530                  2.453
 Raman2 Fr= 1--       3.990                  2.413                  4.239
 ROA2   Fr= 1--     -19.419                -14.442                  4.235
 CID2   Fr= 1--      -4.867                 -5.986                  0.999
 Raman3 Fr= 1--       7.980                  4.825                  8.479
 ROA3   Fr= 1--     -43.457                -65.152                 25.416
 CID3   Fr= 1--      -5.446                -13.503                  2.998
 RC180  Fr= 1--       0.294                  0.560                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.02    -0.08  -0.07  -0.08    -0.02   0.03  -0.02
     2   6     0.03  -0.09   0.01     0.17   0.09   0.09     0.06  -0.06   0.03
     3   6     0.04   0.10  -0.01    -0.04  -0.00  -0.03    -0.01   0.18   0.09
     4   6     0.01  -0.04   0.03     0.01   0.01  -0.00    -0.04  -0.04  -0.02
     5   8    -0.01   0.01   0.01     0.00  -0.01  -0.01    -0.02   0.05   0.05
     6   6    -0.03   0.04  -0.00    -0.11  -0.07  -0.02    -0.04   0.02  -0.01
     7   7    -0.06  -0.06  -0.02    -0.00   0.00   0.02     0.04  -0.06  -0.07
     8   8    -0.02   0.01   0.01    -0.01   0.01   0.01     0.04  -0.03  -0.05
     9   1     0.51   0.48  -0.05    -0.00  -0.08  -0.02    -0.37  -0.05   0.12
    10   1     0.12  -0.12   0.05     0.27   0.05   0.13     0.03  -0.06   0.05
    11   1    -0.01  -0.10  -0.07     0.01   0.09   0.07    -0.04  -0.35  -0.27
    12   1     0.06   0.26  -0.05    -0.00   0.08  -0.00    -0.06  -0.58   0.02
    13   1     0.06  -0.44  -0.06     0.02  -0.07  -0.03    -0.07   0.35   0.12
    14   1     0.08  -0.04   0.13     0.16  -0.01  -0.40     0.10  -0.04   0.03
    15   1     0.04  -0.09   0.06     0.05   0.09   0.37     0.03  -0.06   0.08
    16   1    -0.01  -0.05  -0.20     0.18   0.15  -0.19     0.02   0.01  -0.13
    17   1     0.09  -0.07  -0.02     0.29   0.14  -0.10     0.07  -0.06  -0.02
    18   1     0.15  -0.04   0.01    -0.29  -0.09   0.31     0.07  -0.03   0.05
    19   1    -0.16  -0.05   0.07    -0.05   0.10   0.23    -0.12  -0.05   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1298.8007              1319.8077              1359.7613
 Red. masses --      1.3076                 1.4133                 1.4408
 Frc consts  --      1.2996                 1.4505                 1.5696
 IR Inten    --      0.4988                10.9367                11.6669
 RamAct Fr= 1--      8.0612                 5.8334                 2.8270
  Dep-P Fr= 1--      0.4404                 0.5105                 0.6706
  Dep-U Fr= 1--      0.6115                 0.6759                 0.8028
 Alpha2 Fr= 1--      0.0513                 0.0274                 0.0040
 Beta2  Fr= 1--      0.8216                 0.6572                 0.3783
 AlphaG Fr= 1--     -0.0048                 0.0382                 0.0193
 Gamma2 Fr= 1--     -0.0416                 0.5701                 0.1005
 Delta2 Fr= 1--     -0.8182                -0.8661                 0.3917
 Raman1 Fr= 1--      32.245                 23.334                 11.308
 ROA1   Fr= 1--     -30.175                 27.017                 22.186
 CID1   Fr= 1--      -0.936                  1.158                  1.962
 Raman2 Fr= 1--       9.859                  7.886                  4.539
 ROA2   Fr= 1--       5.548                 20.611                 -0.721
 CID2   Fr= 1--       0.563                  2.614                 -0.159
 Raman3 Fr= 1--      19.719                 15.772                  9.078
 ROA3   Fr= 1--     -30.175                 27.017                 22.186
 CID3   Fr= 1--      -1.530                  1.713                  2.444
 RC180  Fr= 1--       0.223                  0.352                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.00     0.01  -0.02   0.01     0.01  -0.07  -0.01
     2   6     0.02  -0.03  -0.01    -0.06   0.05  -0.04    -0.12   0.04   0.02
     3   6    -0.10   0.04   0.01     0.01   0.00   0.05     0.00   0.04   0.02
     4   6    -0.03  -0.08   0.00    -0.08  -0.10  -0.02     0.07   0.08   0.02
     5   8     0.03   0.01  -0.02     0.04   0.01  -0.02    -0.04  -0.02   0.01
     6   6    -0.01   0.05   0.00     0.01  -0.04  -0.00     0.03   0.00  -0.01
     7   7     0.03   0.01  -0.00     0.02  -0.02  -0.05    -0.01  -0.01  -0.00
     8   8    -0.01   0.02   0.02    -0.00   0.03   0.02    -0.00  -0.02  -0.02
     9   1     0.57  -0.41   0.07     0.04   0.53  -0.01     0.07  -0.08   0.04
    10   1     0.13   0.06  -0.44     0.35  -0.20   0.38     0.81  -0.18  -0.20
    11   1     0.04   0.30   0.21     0.06   0.38   0.28    -0.04  -0.26  -0.19
    12   1    -0.05  -0.19   0.01    -0.01  -0.22  -0.01     0.00  -0.02   0.00
    13   1    -0.02   0.18   0.00    -0.03   0.20   0.09    -0.00  -0.03   0.00
    14   1     0.05  -0.03   0.18    -0.07   0.01  -0.09    -0.10   0.03   0.03
    15   1     0.04  -0.09   0.02    -0.02   0.10   0.02    -0.01   0.04  -0.06
    16   1    -0.05  -0.03  -0.07     0.02   0.03   0.11    -0.05  -0.04   0.06
    17   1     0.02   0.00  -0.01    -0.04   0.06   0.00     0.06   0.16  -0.03
    18   1    -0.06  -0.01   0.02    -0.07   0.02  -0.03    -0.12  -0.01  -0.01
    19   1     0.03   0.01  -0.02     0.04   0.00  -0.02     0.16   0.09  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1383.7294              1406.7049              1426.9729
 Red. masses --      1.4250                 1.2556                 1.3023
 Frc consts  --      1.6075                 1.4639                 1.5624
 IR Inten    --     10.3827                 7.6586                 2.5922
 RamAct Fr= 1--      1.2203                 0.0670                 0.4550
  Dep-P Fr= 1--      0.7167                 0.6874                 0.4626
  Dep-U Fr= 1--      0.8350                 0.8147                 0.6326
 Alpha2 Fr= 1--      0.0007                 0.0001                 0.0026
 Beta2  Fr= 1--      0.1698                 0.0091                 0.0480
 AlphaG Fr= 1--      0.0018                 0.0009                 0.0129
 Gamma2 Fr= 1--     -0.6641                 0.0741                 0.0083
 Delta2 Fr= 1--      0.0385                 0.0367                 0.0421
 Raman1 Fr= 1--       4.881                  0.268                  1.820
 ROA1   Fr= 1--     -62.527                  8.286                  2.147
 CID1   Fr= 1--     -12.810                 30.928                  1.180
 Raman2 Fr= 1--       2.038                  0.109                  0.576
 ROA2   Fr= 1--     -16.247                  1.485                 -0.137
 CID2   Fr= 1--      -7.973                 13.605                 -0.239
 Raman3 Fr= 1--       4.075                  0.218                  1.151
 ROA3   Fr= 1--     -62.527                  8.286                  2.147
 CID3   Fr= 1--     -15.343                 37.961                  1.865
 RC180  Fr= 1--       0.670                  0.629                  0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.04    -0.10  -0.02   0.06    -0.07  -0.01   0.02
     2   6     0.02   0.03  -0.15     0.01   0.00  -0.04    -0.01  -0.01   0.03
     3   6    -0.05   0.04   0.02     0.01   0.02   0.01     0.06   0.02  -0.02
     4   6     0.05   0.04   0.02    -0.01  -0.01  -0.00    -0.04  -0.03  -0.02
     5   8    -0.02  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.02  -0.04  -0.01     0.00  -0.01   0.08    -0.01  -0.00  -0.11
     7   7     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.00   0.01
     8   8    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.01   0.01
     9   1     0.39  -0.39   0.08     0.02  -0.13   0.02    -0.22  -0.12  -0.01
    10   1    -0.05  -0.18   0.64    -0.00  -0.04   0.12     0.05  -0.00  -0.05
    11   1    -0.03  -0.14  -0.11     0.00   0.02   0.01     0.01   0.08   0.06
    12   1    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.01   0.10  -0.00
    13   1    -0.00  -0.01  -0.02     0.00  -0.02  -0.02     0.01  -0.09  -0.04
    14   1     0.04  -0.08   0.08     0.02   0.11  -0.30     0.02  -0.19   0.44
    15   1     0.05   0.09   0.22    -0.15  -0.02  -0.25     0.20   0.06   0.37
    16   1     0.06   0.14   0.20     0.08  -0.08  -0.27    -0.07   0.18   0.41
    17   1    -0.11  -0.02   0.04     0.46   0.09   0.01     0.29   0.05  -0.01
    18   1    -0.05   0.07  -0.10     0.37  -0.08  -0.29     0.26  -0.09  -0.12
    19   1    -0.05  -0.09  -0.08     0.29   0.20  -0.31     0.19   0.17  -0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1438.1467              1487.0332              1497.5999
 Red. masses --      1.6555                 1.0428                 1.0518
 Frc consts  --      2.0174                 1.3587                 1.3899
 IR Inten    --     22.4839                 0.7311                 1.9572
 RamAct Fr= 1--      1.3601                 7.3309                 0.6647
  Dep-P Fr= 1--      0.7393                 0.7496                 0.7498
  Dep-U Fr= 1--      0.8501                 0.8569                 0.8570
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1927                 1.0470                 0.0949
 AlphaG Fr= 1--      0.0044                -0.0020                 0.0001
 Gamma2 Fr= 1--     -0.9294                 0.5967                -0.1569
 Delta2 Fr= 1--      0.6598                -0.0706                -0.0487
 Raman1 Fr= 1--       5.440                 29.324                  2.659
 ROA1   Fr= 1--     -68.112                 55.023                -16.625
 CID1   Fr= 1--     -12.520                  1.876                 -6.253
 Raman2 Fr= 1--       2.312                 12.564                  1.139
 ROA2   Fr= 1--     -27.585                 14.884                 -3.377
 CID2   Fr= 1--     -11.929                  1.185                 -2.964
 Raman3 Fr= 1--       4.625                 25.127                  2.279
 ROA3   Fr= 1--     -68.112                 55.023                -16.625
 CID3   Fr= 1--     -14.727                  2.190                 -7.296
 RC180  Fr= 1--       0.700                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01   0.02     0.01  -0.04   0.01     0.02   0.00   0.02
     2   6     0.04   0.01   0.02     0.00  -0.00  -0.00    -0.02  -0.01   0.03
     3   6    -0.13  -0.11   0.03     0.00   0.00  -0.00     0.01   0.00  -0.01
     4   6     0.09   0.09   0.04    -0.01  -0.00   0.00    -0.00  -0.01  -0.00
     5   8    -0.03  -0.02   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.01   0.01  -0.04    -0.01   0.03  -0.00    -0.04  -0.01   0.00
     7   7     0.04   0.00  -0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.02  -0.02     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   1     0.30   0.62  -0.04    -0.01  -0.01  -0.00    -0.05   0.02  -0.01
    10   1    -0.20   0.13  -0.13    -0.03  -0.00   0.04     0.04   0.01  -0.09
    11   1    -0.03  -0.16  -0.12     0.00   0.01   0.01     0.00   0.01   0.01
    12   1    -0.03  -0.21  -0.01     0.00   0.02  -0.00     0.03   0.05  -0.00
    13   1    -0.05   0.33   0.10    -0.00  -0.00  -0.00    -0.00  -0.00   0.02
    14   1     0.07  -0.07   0.12     0.26   0.01  -0.20     0.40  -0.18   0.15
    15   1     0.07  -0.03   0.12     0.11  -0.43  -0.00    -0.18   0.06  -0.30
    16   1    -0.03   0.07   0.15    -0.19  -0.06   0.21     0.35   0.40   0.03
    17   1     0.21   0.03   0.00    -0.10   0.55  -0.02     0.20   0.07   0.00
    18   1     0.12  -0.03  -0.10     0.07   0.07  -0.39    -0.28   0.18  -0.24
    19   1     0.12   0.07  -0.13    -0.12   0.01   0.34    -0.17  -0.28  -0.18
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.4797              1511.2743              1639.1403
 Red. masses --      1.0438                 1.0547                 1.1061
 Frc consts  --      1.3976                 1.4193                 1.7510
 IR Inten    --     13.5017                 5.3070                59.5376
 RamAct Fr= 1--      1.9916                 4.9801                 1.7183
  Dep-P Fr= 1--      0.7280                 0.7359                 0.7492
  Dep-U Fr= 1--      0.8426                 0.8478                 0.8566
 Alpha2 Fr= 1--      0.0008                 0.0012                 0.0000
 Beta2  Fr= 1--      0.2797                 0.7037                 0.2453
 AlphaG Fr= 1--     -0.0026                 0.0029                -0.0002
 Gamma2 Fr= 1--     -0.3004                 0.1150                -0.8365
 Delta2 Fr= 1--     -0.0141                 0.1005                -0.4478
 Raman1 Fr= 1--       7.967                 19.920                  6.873
 ROA1   Fr= 1--     -29.292                 14.254                -94.636
 CID1   Fr= 1--      -3.677                  0.716                -13.769
 Raman2 Fr= 1--       3.356                  8.445                  2.944
 ROA2   Fr= 1--      -7.097                  1.956                -16.493
 CID2   Fr= 1--      -2.115                  0.232                 -5.602
 Raman3 Fr= 1--       6.712                 16.889                  5.888
 ROA3   Fr= 1--     -29.292                 14.254                -94.636
 CID3   Fr= 1--      -4.364                  0.844                -16.073
 RC180  Fr= 1--       0.685                  0.696                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.02    -0.01   0.01  -0.03    -0.00   0.00  -0.00
     2   6     0.01  -0.03  -0.01    -0.03   0.01  -0.02     0.00  -0.00   0.00
     3   6    -0.01  -0.00   0.00     0.00  -0.01   0.00    -0.01   0.01  -0.02
     4   6     0.01   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.03   0.00    -0.03   0.01   0.02     0.00   0.00   0.00
     7   7     0.00   0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01  -0.01  -0.02
     9   1     0.03   0.01  -0.00     0.03  -0.00   0.00     0.01  -0.09  -0.01
    10   1    -0.07  -0.00  -0.03     0.04  -0.03   0.03     0.00  -0.00  -0.00
    11   1    -0.00  -0.00  -0.01     0.00  -0.00   0.00     0.00   0.02   0.01
    12   1    -0.01  -0.02  -0.00    -0.02  -0.01  -0.01     0.55   0.45   0.10
    13   1    -0.01   0.03  -0.00    -0.00   0.01  -0.01    -0.11   0.38   0.55
    14   1    -0.17  -0.05   0.26     0.45  -0.12  -0.04    -0.01   0.01  -0.01
    15   1    -0.15   0.47  -0.07    -0.08  -0.24  -0.25     0.00  -0.01   0.00
    16   1     0.28   0.15  -0.24     0.14   0.25   0.17    -0.01  -0.02  -0.01
    17   1    -0.23   0.37  -0.01    -0.25  -0.21   0.00    -0.01  -0.01  -0.00
    18   1     0.25  -0.07  -0.14     0.27  -0.21   0.37     0.03  -0.02   0.02
    19   1     0.02   0.19   0.41     0.23   0.31   0.14     0.02   0.02   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1811.5255              3024.6683              3028.2226
 Red. masses --      8.6278                 1.0488                 1.0685
 Frc consts  --     16.6816                 5.6532                 5.7728
 IR Inten    --    261.2511                14.6575                22.7514
 RamAct Fr= 1--     15.0549               103.2888                52.9418
  Dep-P Fr= 1--      0.1643                 0.0569                 0.3905
  Dep-U Fr= 1--      0.2822                 0.1077                 0.5616
 Alpha2 Fr= 1--      0.2244                 2.0069                 0.4056
 Beta2  Fr= 1--      0.7081                 1.8537                 4.9556
 AlphaG Fr= 1--     -0.0304                 0.0473                -0.1380
 Gamma2 Fr= 1--      0.1907                 5.1295                 7.4941
 Delta2 Fr= 1--      0.3828                 4.0683                 7.8584
 Raman1 Fr= 1--      60.220                413.155                211.767
 ROA1   Fr= 1--      30.552                622.619                970.906
 CID1   Fr= 1--       0.507                  1.507                  4.585
 Raman2 Fr= 1--       8.497                 22.245                 59.468
 ROA2   Fr= 1--       1.514                 90.562                116.992
 CID2   Fr= 1--       0.178                  4.071                  1.967
 Raman3 Fr= 1--      16.993                 44.490                118.935
 ROA3   Fr= 1--      30.552                622.619                970.906
 CID3   Fr= 1--       1.798                 13.995                  8.163
 RC180  Fr= 1--      -0.436                 -0.785                  0.123
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.02   0.01     0.02   0.00  -0.01
     2   6     0.01  -0.01   0.00     0.01   0.03   0.01     0.01   0.04   0.01
     3   6     0.05   0.01  -0.03     0.00  -0.00  -0.03     0.00  -0.01  -0.05
     4   6    -0.40   0.25   0.48     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.03  -0.03  -0.04     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.01
     7   7    -0.00   0.02   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   8     0.23  -0.18  -0.30    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.18   0.04  -0.02    -0.01   0.04   0.34    -0.01   0.08   0.65
    10   1     0.01  -0.01  -0.00    -0.10  -0.33  -0.10    -0.14  -0.46  -0.14
    11   1     0.04   0.35   0.26     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1    -0.21  -0.13  -0.04     0.00   0.00  -0.01     0.00   0.00  -0.01
    13   1     0.04  -0.19  -0.19    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.01   0.00   0.00    -0.01  -0.03  -0.01     0.06   0.22   0.07
    15   1    -0.02   0.04  -0.01     0.06   0.01  -0.02    -0.10  -0.03   0.04
    16   1     0.03   0.01  -0.04    -0.06   0.05  -0.02     0.08  -0.09   0.04
    17   1     0.00   0.01  -0.00    -0.03  -0.03  -0.45     0.02   0.01   0.28
    18   1    -0.01   0.01  -0.00     0.20   0.57   0.17    -0.09  -0.25  -0.07
    19   1    -0.02  -0.01   0.01     0.24  -0.26   0.12    -0.18   0.19  -0.09
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3034.6402              3036.6854              3083.0582
 Red. masses --      1.0833                 1.0376                 1.0995
 Frc consts  --      5.8776                 5.6374                 6.1577
 IR Inten    --     18.3501                18.2707                22.4982
 RamAct Fr= 1--    135.7381               197.1930                35.6717
  Dep-P Fr= 1--      0.1187                 0.0137                 0.3964
  Dep-U Fr= 1--      0.2122                 0.0271                 0.5678
 Alpha2 Fr= 1--      2.2696                 4.2436                 0.2676
 Beta2  Fr= 1--      4.8007                 0.8903                 3.3755
 AlphaG Fr= 1--     -0.1225                -0.2094                -0.0503
 Gamma2 Fr= 1--    -15.4343                 0.5520                -0.0803
 Delta2 Fr= 1--    -17.0431                 0.3333                 1.5321
 Raman1 Fr= 1--     542.952                788.772                142.687
 ROA1   Fr= 1--   -2027.069                 63.662                 41.323
 CID1   Fr= 1--      -3.733                  0.081                  0.290
 Raman2 Fr= 1--      57.609                 10.684                 40.506
 ROA2   Fr= 1--    -234.077                 10.583                -14.183
 CID2   Fr= 1--      -4.063                  0.991                 -0.350
 Raman3 Fr= 1--     115.217                 21.368                 81.011
 ROA3   Fr= 1--   -2027.069                 63.662                 41.323
 CID3   Fr= 1--     -17.593                  2.979                  0.510
 RC180  Fr= 1--      -0.576                 -0.946                  0.136
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.01    -0.01  -0.00   0.01     0.00  -0.08  -0.04
     2   6    -0.02  -0.05  -0.02    -0.01  -0.02  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.01  -0.05     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00   0.01   0.01    -0.01  -0.01  -0.05    -0.00   0.03  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01   0.07   0.65     0.00  -0.01  -0.07     0.00   0.00   0.04
    10   1     0.20   0.66   0.19     0.06   0.19   0.05     0.04   0.14   0.04
    11   1    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.05  -0.16  -0.05     0.16   0.54   0.17    -0.06  -0.19  -0.06
    15   1     0.02   0.01  -0.01    -0.45  -0.12   0.21    -0.06  -0.01   0.03
    16   1    -0.01   0.01  -0.01     0.37  -0.36   0.17     0.13  -0.12   0.06
    17   1    -0.01  -0.00  -0.12    -0.01  -0.01  -0.15     0.03   0.00   0.47
    18   1    -0.03  -0.09  -0.02     0.04   0.12   0.03     0.23   0.61   0.17
    19   1     0.06  -0.06   0.03     0.08  -0.08   0.04    -0.31   0.29  -0.15
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.2549              3096.8361              3103.1467
 Red. masses --      1.1014                 1.1008                 1.1018
 Frc consts  --      6.2131                 6.2202                 6.2509
 IR Inten    --     25.6173                42.6576                25.2564
 RamAct Fr= 1--     33.7255                98.5333                51.7256
  Dep-P Fr= 1--      0.5687                 0.6017                 0.7474
  Dep-U Fr= 1--      0.7251                 0.7513                 0.8555
 Alpha2 Fr= 1--      0.1155                 0.2704                 0.0022
 Beta2  Fr= 1--      4.0756                12.3382                 7.3750
 AlphaG Fr= 1--     -0.0293                -0.1706                -0.0265
 Gamma2 Fr= 1--     -9.4572                16.7447                -7.7355
 Delta2 Fr= 1--    -10.4762                13.1398                -2.0682
 Raman1 Fr= 1--     134.902                394.133                206.903
 ROA1   Fr= 1--   -1243.134               2027.968               -808.793
 CID1   Fr= 1--      -9.215                  5.145                 -3.909
 Raman2 Fr= 1--      48.907                148.058                 88.500
 ROA2   Fr= 1--    -143.164                296.755               -169.106
 CID2   Fr= 1--      -2.927                  2.004                 -1.911
 Raman3 Fr= 1--      97.814                296.117                176.999
 ROA3   Fr= 1--   -1243.134               2027.968               -808.793
 CID3   Fr= 1--     -12.709                  6.849                 -4.569
 RC180  Fr= 1--       0.450                  0.503                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.05     0.04  -0.04   0.05    -0.00   0.00  -0.01
     2   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.01  -0.07   0.00    -0.00  -0.05   0.00    -0.09  -0.01   0.01
     7   7     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.03    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    10   1     0.04   0.13   0.04     0.03   0.11   0.03     0.01   0.04   0.01
    11   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    12   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1     0.15   0.47   0.16     0.12   0.39   0.13     0.05   0.23   0.08
    15   1     0.07   0.00  -0.03     0.15   0.03  -0.07     0.73   0.19  -0.35
    16   1    -0.37   0.34  -0.17    -0.26   0.23  -0.12     0.32  -0.32   0.16
    17   1     0.02   0.03   0.50    -0.02  -0.03  -0.44     0.00   0.00   0.06
    18   1     0.05   0.15   0.03     0.04   0.08   0.04     0.01   0.02   0.00
    19   1     0.24  -0.25   0.10    -0.44   0.44  -0.20     0.05  -0.05   0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.5648              3597.2549              3726.9170
 Red. masses --      1.0482                 1.0939                 1.0640
 Frc consts  --      7.6069                 8.3401                 8.7078
 IR Inten    --      5.3770                 8.9865                67.6812
 RamAct Fr= 1--     83.8151                23.4520               110.8636
  Dep-P Fr= 1--      0.0459                 0.6515                 0.2152
  Dep-U Fr= 1--      0.0878                 0.7890                 0.3542
 Alpha2 Fr= 1--      1.6717                 0.0414                 1.4457
 Beta2  Fr= 1--      1.2271                 3.0838                 6.5440
 AlphaG Fr= 1--     -0.5518                -0.0172                -0.0467
 Gamma2 Fr= 1--     -1.5077                -2.5298                -2.2412
 Delta2 Fr= 1--     -0.0293                 0.7082                -0.0703
 Raman1 Fr= 1--     335.261                 93.808                443.454
 ROA1   Fr= 1--    -145.674               -220.194               -217.407
 CID1   Fr= 1--      -0.435                 -2.347                 -0.490
 Raman2 Fr= 1--      14.726                 37.006                 78.528
 ROA2   Fr= 1--     -35.949                -66.380                -53.227
 CID2   Fr= 1--      -2.441                 -1.794                 -0.678
 Raman3 Fr= 1--      29.451                 74.012                157.057
 ROA3   Fr= 1--    -145.674               -220.194               -217.407
 CID3   Fr= 1--      -4.946                 -2.975                 -1.384
 RC180  Fr= 1--      -0.824                  0.578                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.05  -0.02   0.02
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   7    -0.02  -0.03  -0.04    -0.07  -0.01   0.04    -0.00   0.00  -0.00
     8   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     9   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.88   0.27  -0.39
    12   1    -0.32   0.18   0.69     0.22  -0.14  -0.56    -0.00  -0.00   0.00
    13   1     0.59   0.18  -0.05     0.75   0.22  -0.04     0.00   0.00  -0.00
    14   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   613.791301254.597031341.77734
           X            0.99999   0.00236   0.00262
           Y           -0.00222   0.99879  -0.04914
           Z           -0.00274   0.04914   0.99879
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14111     0.06904     0.06455
 Rotational constants (GHZ):           2.94032     1.43850     1.34504
 Zero-point vibrational energy     431031.1 (Joules/Mol)
                                  103.01890 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     80.52   121.30   254.70   311.00   318.98
          (Kelvin)            354.66   399.56   426.06   497.49   572.39
                              643.94   833.79   856.71   952.26  1026.28
                             1153.35  1236.70  1251.09  1349.82  1378.16
                             1400.67  1513.63  1618.22  1636.55  1681.40
                             1726.21  1783.93  1868.68  1898.91  1956.39
                             1990.88  2023.93  2053.10  2069.17  2139.51
                             2154.71  2168.93  2174.39  2358.36  2606.38
                             4351.82  4356.94  4366.17  4369.11  4435.83
                             4451.94  4455.66  4464.74  5049.48  5175.65
                             5362.20
 
 Zero-point correction=                           0.164171 (Hartree/Particle)
 Thermal correction to Energy=                    0.173670
 Thermal correction to Enthalpy=                  0.174614
 Thermal correction to Gibbs Free Energy=         0.129974
 Sum of electronic and zero-point Energies=           -402.405553
 Sum of electronic and thermal Energies=              -402.396054
 Sum of electronic and thermal Enthalpies=            -402.395110
 Sum of electronic and thermal Free Energies=         -402.439750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  108.979             34.465             93.953
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.426
 Vibrational            107.202             28.503             25.339
 Vibration     1          0.596              1.975              4.595
 Vibration     2          0.601              1.960              3.788
 Vibration     3          0.628              1.871              2.360
 Vibration     4          0.645              1.816              1.991
 Vibration     5          0.648              1.808              1.945
 Vibration     6          0.661              1.769              1.755
 Vibration     7          0.679              1.715              1.548
 Vibration     8          0.690              1.681              1.439
 Vibration     9          0.724              1.584              1.185
 Vibration    10          0.764              1.475              0.971
 Vibration    11          0.807              1.366              0.803
 Vibration    12          0.936              1.076              0.486
 Vibration    13          0.953              1.041              0.458
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.164498D-59        -59.783840       -137.657378
 Total V=0       0.536470D+16         15.729545         36.218616
 Vib (Bot)       0.907904D-73        -73.041960       -168.185329
 Vib (Bot)    1  0.369148D+01          0.567200          1.306027
 Vib (Bot)    2  0.244115D+01          0.387595          0.892471
 Vib (Bot)    3  0.113575D+01          0.055284          0.127297
 Vib (Bot)    4  0.916549D+00         -0.037844         -0.087140
 Vib (Bot)    5  0.891556D+00         -0.049851         -0.114787
 Vib (Bot)    6  0.793079D+00         -0.100684         -0.231833
 Vib (Bot)    7  0.693143D+00         -0.159177         -0.366519
 Vib (Bot)    8  0.643603D+00         -0.191382         -0.440673
 Vib (Bot)    9  0.535048D+00         -0.271607         -0.625398
 Vib (Bot)   10  0.448731D+00         -0.348014         -0.801332
 Vib (Bot)   11  0.383914D+00         -0.415766         -0.957335
 Vib (Bot)   12  0.263075D+00         -0.579920         -1.335315
 Vib (Bot)   13  0.251943D+00         -0.598697         -1.378552
 Vib (V=0)       0.296091D+03          2.471425          5.690665
 Vib (V=0)    1  0.422519D+01          0.625846          1.441064
 Vib (V=0)    2  0.299183D+01          0.475937          1.095886
 Vib (V=0)    3  0.174094D+01          0.240784          0.554427
 Vib (V=0)    4  0.154406D+01          0.188664          0.434416
 Vib (V=0)    5  0.152219D+01          0.182469          0.420150
 Vib (V=0)    6  0.143754D+01          0.157619          0.362930
 Vib (V=0)    7  0.135466D+01          0.131831          0.303552
 Vib (V=0)    8  0.131500D+01          0.118926          0.273837
 Vib (V=0)    9  0.123231D+01          0.090720          0.208890
 Vib (V=0)   10  0.117183D+01          0.068866          0.158569
 Vib (V=0)   11  0.113039D+01          0.053228          0.122562
 Vib (V=0)   12  0.106499D+01          0.027344          0.062961
 Vib (V=0)   13  0.105989D+01          0.025260          0.058164
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.363872D+06          5.560948         12.804557
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1     111111111111 11111  1                                   
     7    5  5        10000000                                         8     655444443332 22111  0 99988 8  7 6 55   4 33222221      
     2    9  1        09983322                                         1     310983208629 40632  5 75376 0  1 6 98   4 94974217   85 
     7    7  0        37437585                                         2     917878774009 00975  2 48800 2  3 2 50   8 86686267   46 
 
     X    X  X        XXXXXXXX                                         X     XXXXXXXXXXXX XXXXX  X XXXXX X  X X XX   X XXXXXXXX   XX 
     X                XXXX  X                                          X     X    X       X  X         X X  X X XX                   
     X                 X                                               X     X               X         X X       X                   
     X                                                                 X     X               X         X X       X                   
     X                                                                 X     X               X           X       X                   
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X           X                           
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                     X                                       
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000010902    0.000003247    0.000002748
      2        6          -0.000001761    0.000003346   -0.000018613
      3        6           0.000025816   -0.000035831   -0.000001968
      4        6          -0.000006568    0.000030933    0.000028732
      5        8           0.000003535   -0.000024682   -0.000013830
      6        6           0.000004683    0.000009912    0.000000725
      7        7          -0.000012633    0.000005944    0.000007436
      8        8           0.000011734   -0.000001518   -0.000012042
      9        1          -0.000010085    0.000001010   -0.000007752
     10        1           0.000001913    0.000001058   -0.000003017
     11        1          -0.000000502    0.000003243   -0.000002535
     12        1           0.000001190    0.000007078    0.000007434
     13        1           0.000002658   -0.000001507    0.000002639
     14        1           0.000001806   -0.000001639    0.000004452
     15        1          -0.000002569   -0.000001573    0.000001601
     16        1          -0.000001941   -0.000002012    0.000005113
     17        1          -0.000000577    0.000000462   -0.000001362
     18        1          -0.000001047    0.000001892   -0.000000938
     19        1          -0.000004750    0.000000640    0.000001175
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035831 RMS     0.000010402
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.878827D+02  0.106433D+00 -0.243409D+01
      2   0.106433D+00  0.775290D+02  0.202699D+01
      3  -0.243409D+01  0.202699D+01  0.754923D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.237792D+01  0.137953D+01 -0.123181D+01
      2   0.559736D+01 -0.707958D+01  0.303821D+02
      3   0.752016D+01 -0.256506D+02  0.835504D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.728722D+02 -0.247036D+02  0.206514D+01
      2  -0.408645D+02  0.253118D+02 -0.968899D+01
      3  -0.320077D+02 -0.608130D+00  0.762385D+01
      4  -0.252872D+02  0.448386D+02 -0.186671D+02
      5   0.987953D+01 -0.212686D+02  0.609962D+02
      6  -0.466128D+01  0.892587D+00 -0.669196D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.147063D+00  0.220667D+01 -0.308773D+01  0.338707D+01 -0.427836D+01
      2   0.220667D+01 -0.394643D+01  0.163003D+00 -0.427836D+01 -0.239758D+01
      3  -0.308773D+01  0.163003D+00  0.868314D+00 -0.511843D-02 -0.190760D+01
                 6             7             8             9            10 
      1  -0.511843D-02 -0.412745D+01  0.488345D+00 -0.137985D+00  0.179581D+01
      2  -0.190760D+01  0.488345D+00 -0.218425D+01  0.337997D+00 -0.247136D+01
      3   0.374435D+00 -0.137985D+00  0.337997D+00  0.670025D+01  0.372056D+01
                11            12            13            14            15 
      1  -0.247136D+01  0.372056D+01 -0.554451D+01  0.404986D+01  0.252248D+00
      2   0.386932D+01  0.288713D+00  0.404986D+01  0.373735D+01  0.266569D+01
      3   0.288713D+00 -0.267955D+00  0.252248D+00  0.266569D+01  0.201447D+00
                16            17            18            19            20 
      1   0.594213D+01 -0.319493D+00  0.988554D-01 -0.394691D+01  0.391686D+01
      2  -0.319493D+00  0.299893D+01  0.255210D+00  0.391686D+01 -0.203743D+01
      3   0.988554D-01  0.255210D+00 -0.452839D+01 -0.110620D+01  0.521753D+00
                21            22            23            24            25 
      1  -0.110620D+01  0.633004D+01 -0.125186D+01 -0.350159D+00 -0.288856D+01
      2   0.521753D+00 -0.125186D+01 -0.246010D+00 -0.151259D+00  0.597044D+00
      3  -0.425269D+00 -0.350159D+00 -0.151259D+00  0.164893D+01 -0.660933D+00
                26            27            28            29            30 
      1   0.597044D+00 -0.660933D+00  0.163836D+01 -0.234308D+01 -0.921840D+00
      2  -0.214164D+01  0.210134D+01 -0.234308D+01  0.566525D+00  0.171567D+01
      3   0.210134D+01  0.606740D+01 -0.921840D+00  0.171567D+01  0.608015D+00
                31            32            33            34            35 
      1  -0.347934D+01 -0.106936D+00  0.188695D+01 -0.409110D+01  0.138794D+01
      2  -0.106936D+00 -0.374668D+00  0.526885D+00  0.138794D+01 -0.392957D+00
      3   0.188695D+01  0.526885D+00 -0.123696D+01  0.184638D+01 -0.106099D+01
                36            37            38            39            40 
      1   0.184638D+01  0.459658D+01  0.152019D+01 -0.171800D+01  0.216091D+00
      2  -0.106099D+01  0.152019D+01  0.179920D+01 -0.752130D+00  0.287837D-01
      3  -0.297810D+01 -0.171800D+01 -0.752130D+00  0.333947D+00 -0.987414D+00
                41            42            43            44            45 
      1   0.287837D-01 -0.987414D+00 -0.345900D+01 -0.173815D+01 -0.112715D+01
      2  -0.337721D+01 -0.169854D+01 -0.173815D+01 -0.221666D+01 -0.158728D+01
      3  -0.169854D+01 -0.793513D+00 -0.112715D+01 -0.158728D+01 -0.290070D+01
                46            47            48            49            50 
      1   0.118372D+01  0.295779D+01 -0.411572D+01  0.296534D+01 -0.320136D+01
      2   0.295779D+01 -0.305401D+01  0.162857D+00 -0.320136D+01 -0.234036D+01
      3  -0.411572D+01  0.162857D+00  0.608346D+00  0.638537D-01 -0.306575D+01
                51            52            53            54            55 
      1   0.638537D-01 -0.360333D+01 -0.147753D-01  0.283770D+00 -0.362712D+01
      2  -0.306575D+01 -0.147753D-01 -0.266006D+01 -0.946652D-01 -0.545865D+00
      3   0.251041D+00  0.283770D+00 -0.946652D-01  0.293342D+01  0.353079D-02
                56            57            58            59            60 
      1  -0.545865D+00  0.353079D-02 -0.182804D+01 -0.626664D+00  0.984489D-01
      2  -0.251362D+00 -0.222860D+00 -0.626664D+00  0.425669D+01 -0.159007D+01
      3  -0.222860D+00  0.132796D+01  0.984489D-01 -0.159007D+01 -0.129055D+01
                61            62            63            64            65 
      1  -0.232979D+00 -0.716313D+00  0.761160D+00 -0.625219D+01  0.229128D+01
      2  -0.716313D+00 -0.828109D+00 -0.393605D+00  0.229128D+01 -0.189969D+01
      3   0.761160D+00 -0.393605D+00 -0.359828D+01  0.289668D+01 -0.142734D+01
                66            67            68            69            70 
      1   0.289668D+01  0.411404D+01 -0.195639D+01 -0.119582D+01  0.582492D+01
      2  -0.142734D+01 -0.195639D+01  0.395715D+01  0.185147D+01 -0.794277D+00
      3  -0.195177D+01 -0.119582D+01  0.185147D+01  0.178001D+01 -0.300890D+01
                71            72            73            74            75 
      1  -0.794277D+00 -0.300890D+01  0.548861D+00 -0.751446D+00 -0.102553D+01
      2   0.253056D+01  0.217049D+01 -0.751446D+00  0.438560D+00  0.144909D-02
      3   0.217049D+01  0.627317D+01 -0.102553D+01  0.144909D-02  0.244531D+00
                76            77            78            79            80 
      1  -0.119894D+01  0.211374D+00  0.978252D-01 -0.143639D+01 -0.825420D-01
      2   0.211374D+00 -0.146935D+00 -0.124368D+01 -0.825420D-01 -0.166835D+01
      3   0.978252D-01 -0.124368D+01 -0.690670D+00  0.214794D+00 -0.803913D+00
                81            82            83            84            85 
      1   0.214794D+00 -0.131008D+01 -0.934085D+00 -0.971724D+00 -0.123056D+01
      2  -0.803913D+00 -0.934085D+00 -0.145440D+01 -0.113772D+00 -0.119741D+01
      3  -0.852252D+01 -0.971724D+00 -0.113772D+00 -0.442543D+00 -0.699786D-01
                86            87            88            89            90 
      1  -0.119741D+01 -0.699786D-01 -0.131953D+01 -0.111575D+00 -0.178307D+00
      2  -0.752153D+01 -0.150518D+01 -0.111575D+00 -0.169735D+01 -0.152132D+01
      3  -0.150518D+01 -0.167394D+01 -0.178307D+00 -0.152132D+01 -0.583278D+00
                91            92            93            94            95 
      1  -0.727448D+01 -0.344978D+01  0.186813D+00 -0.207689D+01 -0.173107D+01
      2  -0.344978D+01 -0.288845D+01 -0.327870D-01 -0.173107D+01 -0.218665D+01
      3   0.186813D+00 -0.327870D-01 -0.118151D+01  0.163700D+00 -0.116449D-01
                96            97            98            99           100 
      1   0.163700D+00  0.244807D+01  0.136095D+01 -0.933741D+00 -0.116685D+01
      2  -0.116449D-01  0.136095D+01  0.113460D+01 -0.545464D+00  0.111732D+00
      3  -0.617388D+00 -0.933741D+00 -0.545464D+00  0.352340D+00  0.514993D+00
               101           102           103           104           105 
      1   0.111732D+00  0.514993D+00  0.444842D+00 -0.325081D+00 -0.100034D+00
      2  -0.147573D+01 -0.228336D+00 -0.325081D+00  0.156715D+01  0.833140D+00
      3  -0.228336D+00 -0.181242D+01 -0.100034D+00  0.833140D+00  0.186212D+01
               106           107           108           109           110 
      1   0.167671D+01 -0.826090D-01 -0.863221D+00  0.571017D+01  0.206963D+01
      2  -0.826090D-01  0.236653D+01  0.173323D+01  0.206963D+01  0.273637D+01
      3  -0.863221D+00  0.173323D+01  0.391286D+01 -0.345152D+00  0.942826D-01
               111           112           113           114           115 
      1  -0.345152D+00  0.224989D+01  0.114840D+01  0.369019D+00 -0.840398D+00
      2   0.942826D-01  0.114840D+01  0.188982D+01 -0.451305D-01  0.333122D+00
      3   0.802949D+00  0.369019D+00 -0.451305D-01  0.762156D+00  0.250857D+00
               116           117           118           119           120 
      1   0.333122D+00  0.250857D+00  0.957935D+00  0.656102D+00  0.106519D+01
      2  -0.437462D+00  0.535397D+00  0.656102D+00  0.137423D+01  0.494905D+00
      3   0.535397D+00 -0.329195D+00  0.106519D+01  0.494905D+00  0.862659D+00
               121           122           123           124           125 
      1   0.142670D+01  0.119255D+01  0.880046D+00  0.856793D+00  0.384458D+00
      2   0.119255D+01  0.484359D+01  0.182779D+01  0.384458D+00  0.164692D+01
      3   0.880046D+00  0.182779D+01  0.301720D+01  0.456172D+00  0.137236D+01
               126           127           128           129           130 
      1   0.456172D+00 -0.493987D+01 -0.113659D+01  0.218583D+01 -0.116407D+01
      2   0.137236D+01 -0.113659D+01 -0.109290D+01  0.881961D+00 -0.528233D+00
      3   0.166694D+01  0.218583D+01  0.881961D+00 -0.327133D+01  0.493100D+00
               131           132           133           134           135 
      1  -0.528233D+00  0.493100D+00  0.190837D+01  0.496976D+00 -0.180157D+01
      2  -0.718129D+00  0.115200D+01  0.496976D+00  0.966973D+00 -0.692597D+00
      3   0.115200D+01 -0.990203D+00 -0.180157D+01 -0.692597D+00  0.261725D+01
               136           137           138           139           140 
      1   0.382276D+01 -0.240673D+01  0.237405D+01 -0.275218D+01  0.239655D+01
      2  -0.240673D+01  0.248266D+01 -0.133285D+01  0.239655D+01 -0.318158D+01
      3   0.237405D+01 -0.133285D+01  0.233889D+01 -0.135768D+01  0.218188D+01
               141           142           143           144           145 
      1  -0.135768D+01  0.146801D+01 -0.873413D+00  0.149028D+01  0.111845D+00
      2   0.218188D+01 -0.873413D+00  0.148126D+01 -0.145404D+01 -0.181972D+00
      3  -0.235681D+01  0.149028D+01 -0.145404D+01  0.193721D+01 -0.695976D+00
               146           147           148           149           150 
      1  -0.181972D+00 -0.695976D+00 -0.461926D+00  0.693759D+00  0.572790D-01
      2   0.227750D+00 -0.991076D-02  0.693759D+00 -0.217528D-01 -0.882922D+00
      3  -0.991076D-02 -0.442328D-01  0.572790D-01 -0.882922D+00 -0.374980D+00
               151           152           153           154           155 
      1  -0.203845D+01  0.140699D+00  0.181477D+01  0.221800D+01  0.142891D+01
      2   0.140699D+00 -0.119385D+01 -0.316266D+00  0.142891D+01  0.204696D+01
      3   0.181477D+01 -0.316266D+00 -0.920509D+01  0.394258D+00  0.744301D-01
               156           157           158           159           160 
      1   0.394258D+00  0.320176D+01  0.227303D+01 -0.152867D+00  0.146726D+01
      2   0.744301D-01  0.227303D+01  0.525594D+01  0.522114D+00  0.316341D+00
      3   0.477198D+00 -0.152867D+00  0.522114D+00  0.132707D+01  0.515531D+00
               161           162           163           164           165 
      1   0.316341D+00  0.515531D+00  0.608052D+01 -0.293826D+01  0.645977D+00
      2   0.120803D+01  0.754460D+00 -0.293826D+01  0.255882D+01 -0.279032D+00
      3   0.754460D+00  0.182532D-01  0.645977D+00 -0.279032D+00  0.924214D+00
               166           167           168           169           170 
      1  -0.459932D+01  0.320906D+01 -0.143391D+00  0.244492D+01 -0.772729D+00
      2   0.320906D+01 -0.299528D+01  0.540823D+00 -0.772729D+00  0.108689D+01
      3  -0.143391D+00  0.540823D+00 -0.119939D+01  0.979249D+00 -0.790346D+00
               171 
      1   0.979249D+00
      2  -0.790346D+00
      3   0.166455D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.314083D+01  0.342943D+01  0.423944D+00  0.435933D+01  0.131402D+01
      2  -0.804703D+01  0.218207D+01  0.852394D+00  0.317006D+01 -0.875366D+01
      3  -0.652987D+01  0.868899D+01  0.106844D+01  0.157716D+02  0.978079D+01
                 6             7             8             9            10 
      1  -0.607070D+00  0.584601D+00  0.331680D+01  0.117027D+01  0.322358D+01
      2   0.670019D+00 -0.812938D+01  0.121926D+01  0.198970D+02  0.686982D+01
      3   0.402216D+01 -0.115055D+01  0.599963D+01 -0.104355D+01  0.406893D+00
                11            12            13            14            15 
      1  -0.852343D+00  0.167523D-01 -0.784219D+00  0.391831D+01 -0.492540D+01
      2  -0.130013D+01  0.412804D+01 -0.375330D+01  0.403961D+01 -0.101222D+00
      3  -0.369381D+01 -0.161165D+01  0.184922D+01 -0.108935D+02 -0.291164D+01
                16            17            18            19            20 
      1  -0.524349D+00  0.165680D+01 -0.245804D+01 -0.251718D+01 -0.641397D+00
      2  -0.239287D+01  0.864259D+00 -0.434056D+01 -0.157036D+01  0.196276D+01
      3  -0.817723D+00 -0.233614D+01 -0.765964D+00  0.747816D+01 -0.587427D+01
                21            22            23            24            25 
      1  -0.138323D+01  0.219015D+01 -0.247581D+00  0.277174D+01 -0.284695D+01
      2   0.212003D+01  0.538353D+01 -0.151836D+01  0.211722D+01 -0.710419D+01
      3   0.743759D+00  0.864712D+00  0.100145D+01 -0.105333D+01 -0.198754D+01
                26            27            28            29            30 
      1   0.491888D+01 -0.235403D+01  0.147399D+01  0.347451D+01  0.218646D+01
      2   0.919899D+00 -0.176269D+01 -0.601447D+01 -0.150230D+01 -0.491874D+01
      3   0.156839D+01  0.534810D+00 -0.944795D+01  0.278458D+01 -0.172106D+01
                31            32            33            34            35 
      1  -0.169147D-01 -0.866318D+01 -0.565392D+00  0.600683D+00  0.191481D+01
      2   0.335073D+01  0.205559D+01  0.257266D+00 -0.940605D+01  0.582212D+00
      3   0.348372D+01  0.386763D+01 -0.205658D+01 -0.638942D+01 -0.708302D+01
                36            37            38            39            40 
      1   0.710549D+01 -0.276029D+01 -0.549440D+00 -0.444228D+00 -0.246356D-01
      2   0.874762D+01  0.569006D+01  0.258004D+01  0.792889D+00 -0.248053D+01
      3  -0.226774D+01 -0.752624D+00 -0.567336D+00  0.832740D+00  0.570798D+01
                41            42            43            44            45 
      1   0.274759D+01 -0.458473D+01  0.250948D+01  0.365460D+01 -0.318927D+01
      2   0.223789D+01  0.208908D+01 -0.477002D+01  0.150861D+01  0.609081D+01
      3  -0.771068D+01 -0.220250D+01  0.267379D+01 -0.250204D+01 -0.283816D+01
                46            47            48            49            50 
      1   0.280842D+01 -0.557263D+01  0.523632D+00 -0.579416D+01 -0.712638D+01
      2  -0.940963D+01 -0.582146D+01  0.125240D+02 -0.426057D+01  0.166519D+01
      3  -0.492267D+01  0.486268D-01  0.186797D+01  0.443874D+01  0.554955D+01
                51            52            53            54            55 
      1  -0.928269D+01 -0.157071D+00 -0.360521D+01  0.278675D+01  0.123693D+01
      2  -0.340799D+00  0.560878D+01  0.171836D+00  0.200355D+01 -0.215065D+01
      3   0.372895D+01  0.186986D+01  0.339513D+01  0.180786D+00 -0.130365D+02
                56            57            58            59            60 
      1   0.271064D+01 -0.287316D+01  0.629373D+00 -0.226676D+01 -0.336459D+01
      2   0.191346D+00  0.257687D+01 -0.760068D+00 -0.279816D+00 -0.131718D+01
      3  -0.677816D+01 -0.585386D+00  0.508871D+01 -0.529402D+00  0.513992D+00
                61            62            63            64            65 
      1  -0.205553D+01  0.670606D+01  0.100294D+02 -0.676908D+00 -0.296814D+01
      2  -0.191343D+01 -0.134314D+00  0.939210D+00 -0.156385D+01  0.254529D+01
      3  -0.251881D+01 -0.202925D+01  0.341659D+01  0.238745D+01 -0.843569D+01
                66            67            68            69            70 
      1   0.101489D+01  0.871151D+00  0.283727D+01 -0.327599D+01 -0.237764D-01
      2   0.928268D+01  0.707582D+00 -0.493633D+01 -0.342961D+01  0.805982D+00
      3  -0.942802D+00  0.108866D+01  0.640846D+01  0.370043D+01  0.408747D+01
                71            72            73            74            75 
      1   0.514718D+01 -0.252480D+01  0.453429D+00 -0.385338D+00  0.247687D+00
      2  -0.374460D+01 -0.137426D+02  0.750567D+00 -0.645973D+00 -0.762705D-01
      3   0.756946D+01  0.367130D+01 -0.178321D+00 -0.130753D+00 -0.419736D+00
                76            77            78            79            80 
      1  -0.684754D+00  0.724945D+00 -0.182582D+00  0.384140D+00  0.358626D+01
      2  -0.111154D+01  0.156627D+00 -0.294049D+00 -0.449868D+01 -0.301099D-01
      3   0.163399D+01 -0.172665D+00 -0.169384D+00  0.460814D+00 -0.188068D+00
                81            82            83            84            85 
      1   0.153842D+01 -0.123076D+01  0.918764D-01 -0.633745D+00 -0.225846D+00
      2   0.563353D+00 -0.163831D+01 -0.260630D+00  0.842890D-01 -0.578438D+00
      3  -0.344674D-01  0.357602D+01  0.142834D+01  0.111075D+01  0.566212D+01
                86            87            88            89            90 
      1   0.314522D+00 -0.399914D+01 -0.105210D+00  0.318439D+00 -0.390650D+00
      2  -0.147300D+01 -0.139662D+01 -0.204349D+01 -0.155616D+01 -0.509918D+00
      3   0.842235D+01  0.182957D+01  0.201797D+01  0.170638D+01  0.175077D+01
                91            92            93            94            95 
      1   0.311391D+01  0.188027D+01 -0.185637D+01  0.185180D+01  0.173119D+01
      2  -0.508483D+01 -0.264551D+01  0.376520D+01 -0.238187D+01 -0.166903D+01
      3   0.170701D+01 -0.371425D+01 -0.649523D+00  0.353910D+00 -0.184673D+01
                96            97            98            99           100 
      1  -0.850162D+00 -0.158062D+01 -0.620333D+00  0.121709D+01 -0.173867D+01
      2   0.150659D+01  0.263243D+01  0.147398D+01 -0.234264D+01  0.564381D+00
      3   0.122942D+00  0.696166D-01  0.195403D+01 -0.267573D+00 -0.274293D+01
               101           102           103           104           105 
      1  -0.386722D+00  0.464247D+01 -0.201984D+00 -0.179616D+01 -0.495104D+01
      2   0.539005D+00  0.571520D-01  0.425895D+00  0.126608D+00  0.610611D-01
      3  -0.108695D+01  0.146429D+01  0.523509D+00 -0.817555D+00 -0.129612D+00
               106           107           108           109           110 
      1   0.254024D+01 -0.264173D+01 -0.117054D+02 -0.609282D+00 -0.145653D+01
      2  -0.235601D+01  0.569985D-01 -0.109576D+01  0.241773D+01  0.406455D+00
      3   0.515753D+01 -0.266575D+00 -0.290597D+01  0.166228D+02  0.101192D+01
               111           112           113           114           115 
      1  -0.277638D+01 -0.144913D+01 -0.707543D+00 -0.149423D+01 -0.515400D+00
      2   0.191473D+01  0.644441D+00  0.390970D+00  0.109042D+01 -0.956370D+00
      3  -0.295072D+00  0.441210D+01  0.191150D+01  0.100227D+01 -0.166716D+01
               116           117           118           119           120 
      1   0.306075D+00 -0.516637D+00  0.189433D+01  0.296325D+01  0.110261D+01
      2   0.489959D+00  0.949031D-01  0.157822D+00 -0.534965D+00  0.610275D+00
      3   0.794577D+00  0.728754D-01 -0.643692D+00 -0.291253D+01 -0.100795D+01
               121           122           123           124           125 
      1   0.228637D+01  0.129951D+02  0.243795D+01  0.141037D+01  0.499238D+01
      2  -0.256515D+01  0.250192D+00  0.324533D+01 -0.222245D+01  0.873690D+00
      3   0.201423D+00 -0.800648D+01 -0.218879D+01 -0.618205D+00 -0.186927D+01
               126           127           128           129           130 
      1   0.324896D+01 -0.223926D+00 -0.254922D+01 -0.128723D+01 -0.890177D+00
      2   0.116386D+01  0.152741D+02  0.292338D+01 -0.545807D+01  0.265399D+01
      3  -0.218217D+01  0.534303D+01  0.201529D+00 -0.181094D+01  0.234239D+01
               131           132           133           134           135 
      1  -0.622736D-01  0.258398D+00 -0.372221D+00  0.256417D+01  0.490205D+00
      2   0.210670D+01 -0.163301D+01 -0.772462D+01 -0.184793D+01  0.544670D+01
      3   0.691844D+00 -0.141661D+01 -0.174090D+01 -0.566559D+00  0.190953D+01
               136           137           138           139           140 
      1  -0.256714D+01  0.458164D+01  0.423383D+00  0.338097D+01 -0.456108D+01
      2  -0.411946D+01  0.241748D+01  0.132531D+01  0.398635D+01 -0.128756D+01
      3  -0.250193D+00 -0.327326D+01  0.317907D+00  0.394094D+00  0.328130D+01
               141           142           143           144           145 
      1   0.350749D+00 -0.640469D+00  0.283533D+01 -0.702195D+00 -0.194380D+00
      2  -0.158169D+01 -0.265463D+01  0.714096D-01  0.345787D+00 -0.243631D+01
      3  -0.201471D+01 -0.480826D+00 -0.189801D+01  0.792374D+00  0.719887D+00
               146           147           148           149           150 
      1  -0.101083D+00 -0.404621D-01 -0.511776D+00 -0.361915D+00 -0.244109D+00
      2  -0.125472D+00  0.464958D+00 -0.296629D+00 -0.120915D+01 -0.843638D+00
      3  -0.127005D+01  0.317376D+00 -0.766323D+00 -0.618639D+00  0.191295D+01
               151           152           153           154           155 
      1   0.407262D+00  0.382310D+01 -0.268008D+01 -0.108379D+01 -0.174327D+01
      2  -0.802419D+00 -0.654630D+00 -0.228486D+02  0.270517D+01  0.155438D+01
      3   0.488949D+00  0.333845D+01  0.347913D+00 -0.444527D+01 -0.678983D+01
               156           157           158           159           160 
      1  -0.776992D+00 -0.175042D+01 -0.393169D+01 -0.244506D+01 -0.303676D+00
      2   0.250415D+01  0.159559D+01  0.396590D+01  0.464981D+01  0.909952D+00
      3  -0.389590D+00 -0.384542D+01 -0.180979D+02 -0.208453D+01 -0.330377D+00
               161           162           163           164           165 
      1   0.293226D+00 -0.982255D+00  0.253855D+01 -0.192552D+01  0.148997D+01
      2   0.222525D+01  0.796311D+00  0.638847D+01 -0.345299D+01  0.519535D+01
      3  -0.411474D+01 -0.205692D+01  0.465521D+01 -0.840090D+01  0.697244D+00
               166           167           168           169           170 
      1  -0.201835D+01  0.212889D+01 -0.279189D+01  0.742014D+00 -0.403017D+00
      2  -0.373006D+01  0.413162D+01 -0.474896D+01  0.307722D+01 -0.254405D+01
      3  -0.526486D+01  0.783314D+01 -0.182172D+01  0.875511D+00 -0.347238D+01
               171 
      1   0.930004D+00
      2   0.176986D+01
      3   0.168556D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.765540D+00  0.118033D+02 -0.162577D+02  0.127364D+02 -0.260127D+02
      2  -0.562559D+01 -0.410443D+01  0.752792D+01 -0.419358D+01  0.823061D+01
      3   0.639113D+01 -0.769884D+01  0.872977D+01 -0.854285D+01  0.177821D+02
      4   0.150583D+02 -0.227425D+02  0.265439D+01 -0.302175D+02 -0.100859D+02
      5  -0.172956D+02 -0.598078D+00  0.585618D+01 -0.127145D+01 -0.752613D+01
      6   0.320293D+00  0.278179D+01 -0.764091D+00  0.224256D+01  0.367678D+01
                 6             7             8             9            10 
      1  -0.176612D+00 -0.201920D+02  0.253485D+01  0.120823D+02 -0.825559D+01
      2   0.124512D+01  0.631212D+01  0.105559D+00  0.776055D+01 -0.154690D+00
      3  -0.106851D+01  0.138799D+02 -0.264041D+01 -0.198428D+02  0.841028D+01
      4  -0.950626D+01  0.471388D+01 -0.120004D+02  0.221895D+01 -0.487049D+01
      5   0.804548D+00  0.259460D+01  0.142880D+01  0.285352D+02  0.139933D+02
      6   0.176987D+01  0.219760D+00  0.200385D+01 -0.682887D+01 -0.422974D+01
                11            12            13            14            15 
      1  -0.213502D+01  0.120156D+02 -0.234136D+01  0.176572D+02  0.356943D+01
      2   0.579157D-01 -0.837611D+01  0.889147D-01 -0.207820D+02 -0.549291D+01
      3   0.207710D+01 -0.363948D+01  0.225245D+01  0.312478D+01  0.192347D+01
      4   0.823859D+01 -0.221489D+01  0.169148D+02  0.270760D+01  0.432356D+01
      5   0.380308D+00 -0.189994D+01  0.490277D+00  0.443509D+01  0.231038D+00
      6   0.584223D-01  0.516080D+00  0.419053D+00 -0.876942D+01  0.327597D+01
                16            17            18            19            20 
      1   0.160082D+02  0.831674D+00  0.220377D+01 -0.340011D+01 -0.265888D+00
      2  -0.779111D+01 -0.350067D+01 -0.178093D+01  0.765428D+01 -0.393007D+01
      3  -0.821706D+01  0.266899D+01 -0.422844D+00 -0.425417D+01  0.419596D+01
      4  -0.409066D+01  0.512676D+01  0.121990D+01 -0.104795D+01 -0.586028D+00
      5  -0.116875D+01  0.153306D+01 -0.109725D+02 -0.440558D+01 -0.927392D+00
      6  -0.199037D+00 -0.225256D+01  0.394177D+01  0.122553D+01  0.902668D+00
                21            22            23            24            25 
      1  -0.236436D+01  0.296314D+01  0.749374D+00  0.386420D+00 -0.839525D+01
      2   0.429328D+01 -0.403362D+01 -0.162212D+01  0.391382D+01  0.455930D+01
      3  -0.192892D+01  0.107049D+01  0.872751D+00 -0.430024D+01  0.383596D+01
      4   0.606054D+00 -0.110048D+02  0.387765D+01 -0.197515D+01  0.259750D+01
      5   0.201467D+01  0.921583D+00  0.803562D+00  0.410703D+01  0.234291D+01
      6  -0.656089D+00 -0.302948D+01  0.477346D+01 -0.781578D+01 -0.105550D+01
                26            27            28            29            30 
      1   0.709894D+01  0.771287D+01 -0.818368D+01  0.895866D+01 -0.282818D+00
      2  -0.432931D+01  0.163950D+02  0.365530D+01 -0.729223D+01 -0.340156D+01
      3  -0.276963D+01 -0.241078D+02  0.452838D+01 -0.166642D+01  0.368438D+01
      4   0.374747D+00 -0.146823D+01  0.685478D+01 -0.882784D+01 -0.816531D+01
      5  -0.610788D+00  0.324295D+00  0.697270D+01 -0.765559D+01 -0.121132D+02
      6   0.509094D+01 -0.170549D+01 -0.540788D+01  0.162065D+01 -0.276249D+01
                31            32            33            34            35 
      1   0.137499D+02  0.409420D+01 -0.442816D+01  0.152540D+02 -0.181064D+01
      2  -0.772527D+01 -0.664123D+01  0.887709D+01 -0.875769D+01 -0.390758D+01
      3  -0.602462D+01  0.254704D+01 -0.444893D+01 -0.649628D+01  0.571822D+01
      4  -0.502805D+01 -0.260749D+01 -0.615653D+00 -0.105191D+02  0.774980D+01
      5  -0.164925D+02 -0.231102D-01 -0.312255D+01 -0.114178D+02  0.110726D+01
      6  -0.319305D+01 -0.631378D+01 -0.232554D+01 -0.137981D+01 -0.164517D+01
                36            37            38            39            40 
      1  -0.738255D+01 -0.157238D+02 -0.741505D+01  0.755850D+01 -0.654366D+01
      2   0.573807D+01  0.291164D+01  0.321707D+01 -0.465607D+01  0.290930D+01
      3   0.164447D+01  0.128122D+02  0.419798D+01 -0.290243D+01  0.363436D+01
      4   0.373597D+01 -0.131131D+02 -0.356119D+01  0.617498D+01  0.576947D+01
      5   0.145197D+02  0.786976D+01  0.376295D+01  0.734048D+01  0.812931D+01
      6  -0.552668D+01  0.545245D+01  0.223652D+01  0.154474D+01  0.561334D+01
                41            42            43            44            45 
      1  -0.156013D+02 -0.100232D+01  0.123639D+02  0.864533D+00 -0.405888D+01
      2   0.211481D+02  0.555575D-01 -0.515742D+01  0.284575D+01 -0.414368D+01
      3  -0.554684D+01  0.946762D+00 -0.720648D+01 -0.371028D+01  0.820256D+01
      4   0.152386D+02  0.752960D+01  0.134538D+02  0.109275D+02  0.549841D+01
      5   0.774927D+01  0.766701D+01  0.122717D+02  0.837293D+01  0.152585D+02
      6   0.861230D+01  0.979933D+01  0.332539D+01  0.100272D+02  0.915864D+01
                46            47            48            49            50 
      1   0.119706D+02  0.613526D+01 -0.103095D+02  0.480979D+01 -0.433266D+01
      2  -0.132566D+01 -0.152775D-01  0.264047D+01  0.351734D+00  0.974174D+01
      3  -0.106450D+02 -0.611998D+01  0.766907D+01 -0.516152D+01 -0.540908D+01
      4   0.571261D+01 -0.131563D+02  0.823593D+01 -0.149166D+02 -0.205149D+01
      5  -0.532068D+01  0.964746D+01 -0.108218D+02  0.775613D+01 -0.177034D+02
      6   0.149648D+02 -0.108650D+02  0.180414D-01 -0.122165D+02 -0.496858D+01
                51            52            53            54            55 
      1   0.975329D+00 -0.958402D+01 -0.542418D+00 -0.716904D+01  0.147137D+01
      2   0.318745D+01  0.247176D+01  0.254142D+01 -0.579645D+01 -0.303695D+01
      3  -0.416278D+01  0.711225D+01 -0.199900D+01  0.129655D+02  0.156559D+01
      4  -0.112199D+02  0.663272D+01 -0.823166D+01 -0.502281D-01 -0.175725D+02
      5   0.694725D+00 -0.112949D+02 -0.622029D+00  0.893747D+01  0.573034D+01
      6  -0.134097D+02  0.334026D-01 -0.998619D+01 -0.470087D+00 -0.168967D+01
                56            57            58            59            60 
      1  -0.207621D+01  0.234535D+01 -0.261999D+01 -0.211591D+02  0.383227D+01
      2  -0.136102D+01 -0.228114D+01  0.647129D+00  0.321542D+02 -0.611592D+01
      3   0.343724D+01 -0.642098D-01  0.197286D+01 -0.109951D+02  0.228364D+01
      4  -0.453768D+00 -0.273347D+01  0.330005D+01 -0.432833D+01  0.543224D+00
      5  -0.169023D+01  0.447927D+01 -0.419104D+00 -0.446877D+00 -0.306042D+01
      6  -0.144536D+01  0.455918D+01  0.929252D+00 -0.722602D+01  0.712312D+01
                61            62            63            64            65 
      1   0.120907D+01  0.574416D+01 -0.135058D+01  0.342678D+02 -0.885455D+01
      2  -0.381764D+01 -0.250119D+01 -0.586338D+01 -0.185396D+02  0.366873D+01
      3   0.260858D+01 -0.324297D+01  0.721395D+01 -0.157282D+02  0.518582D+01
      4  -0.247127D+01 -0.564445D+00  0.300899D+01 -0.140349D+02  0.171023D+02
      5   0.343179D+01 -0.670206D-01  0.150214D+01 -0.172986D+02  0.793321D+01
      6   0.252757D+01  0.206229D+01 -0.175027D+02  0.229336D+01 -0.312161D+01
                66            67            68            69            70 
      1  -0.905930D+01 -0.135946D+02  0.853375D+00  0.135898D+01 -0.148291D+02
      2   0.935330D+01  0.580768D+01  0.538928D+01 -0.237276D+01  0.102740D+02
      3  -0.293994D+00  0.778695D+01 -0.624265D+01  0.101378D+01  0.455506D+01
      4   0.798051D+01  0.160981D+02 -0.163438D+02 -0.919612D+01  0.564449D+01
      5   0.189063D+02  0.779470D+01 -0.932825D+01 -0.656505D+01  0.219131D+02
      6  -0.168209D+01 -0.397992D+01  0.344374D+01  0.769014D+01 -0.276006D+01
                71            72            73            74            75 
      1  -0.710689D+00  0.242946D+01  0.123278D+01  0.156397D+00  0.704636D-01
      2   0.470637D+00 -0.147768D+02 -0.492808D+01  0.611702D+00 -0.328042D-01
      3   0.240052D+00  0.123474D+02  0.369531D+01 -0.768099D+00 -0.376593D-01
      4  -0.131068D+02 -0.107040D+02 -0.212730D+00  0.156078D+01 -0.326903D+00
      5  -0.879489D+01 -0.294518D+02 -0.424359D-01  0.418458D+00  0.604816D+01
      6   0.743706D+01  0.416653D+01 -0.152702D+00  0.303784D+00 -0.226928D+00
                76            77            78            79            80 
      1   0.846446D+00 -0.367904D+01 -0.958228D+00  0.934253D+00  0.618229D-01
      2   0.264970D+00 -0.636136D+00 -0.274357D+01  0.362408D+00 -0.423591D+01
      3  -0.111142D+01  0.431517D+01  0.370179D+01 -0.129666D+01  0.417409D+01
      4   0.239770D+01 -0.230964D+00  0.499047D+00  0.165752D+00 -0.261971D-01
      5   0.445213D+00 -0.621922D-01 -0.463411D+00  0.553496D+01  0.351004D-01
      6   0.816383D+00  0.455142D+00  0.720153D+01  0.815759D+00  0.484321D+01
                81            82            83            84            85 
      1  -0.188256D+02 -0.724331D+00 -0.355636D+01 -0.245663D+01 -0.525135D+01
      2  -0.188405D+02  0.401296D+01  0.467136D+01  0.210379D+01  0.541410D+01
      3   0.376661D+02 -0.328863D+01 -0.111500D+01  0.352839D+00 -0.162749D+00
      4   0.885473D+00  0.102534D+01  0.375790D+01  0.894656D+00  0.312462D+01
      5   0.387792D+00 -0.146225D+01  0.759429D+00  0.101093D+01  0.121122D+01
      6  -0.100476D+01  0.171800D+01  0.167937D+01  0.783153D+00  0.124012D+01
                86            87            88            89            90 
      1  -0.188538D+02 -0.247952D+01 -0.383067D+01 -0.377186D+01 -0.486533D+01
      2   0.299858D+02  0.521627D+01  0.241641D+01  0.406281D+01  0.292334D+01
      3  -0.111320D+02 -0.273675D+01  0.141426D+01 -0.290950D+00  0.194199D+01
      4  -0.925970D+01 -0.184742D+01  0.616113D+00 -0.216046D+01 -0.156268D+01
      5  -0.208439D+01 -0.333393D+01  0.225423D+01 -0.208484D+01 -0.143328D+00
      6   0.788185D+01  0.694986D+01  0.137689D+01  0.852489D+01  0.435495D+01
                91            92            93            94            95 
      1   0.354251D+02  0.134294D+02 -0.207427D+01  0.580409D+01  0.439939D+01
      2  -0.124191D+02 -0.214880D+01 -0.941030D-01  0.938995D+00  0.255652D+01
      3  -0.230060D+02 -0.112806D+02  0.216837D+01 -0.674309D+01 -0.695591D+01
      4   0.262015D+02  0.178427D+02 -0.585644D+00  0.122945D+02  0.116307D+02
      5   0.288035D+01  0.166815D+01  0.542577D+01  0.562534D+00  0.854014D+00
      6  -0.985914D+00  0.296683D+00  0.233206D+01  0.402189D+00  0.384878D+00
                96            97            98            99           100 
      1  -0.566299D+00 -0.107905D+02 -0.479250D+01  0.310024D+01  0.228046D+00
      2  -0.251879D+00  0.338009D+01  0.268985D+00 -0.127523D+01  0.434883D-01
      3   0.818178D+00  0.741042D+01  0.452352D+01 -0.182501D+01 -0.271534D+00
      4  -0.445822D+00 -0.941000D+01 -0.680803D+01  0.398890D+01 -0.174875D+01
      5   0.208098D+01  0.508677D+01  0.264401D+01 -0.198629D+01 -0.806725D+00
      6   0.186980D+01  0.320189D+01  0.242405D+01 -0.158129D+01  0.234035D+01
               101           102           103           104           105 
      1   0.383322D+01 -0.240893D+00  0.102184D+01 -0.423321D+01 -0.236979D+01
      2  -0.533349D+01 -0.855798D+00 -0.142872D+01  0.644829D+01  0.327587D+01
      3   0.150027D+01  0.109669D+01  0.406883D+00 -0.221507D+01 -0.906086D+00
      4   0.248411D+01  0.166858D+01  0.274721D+01 -0.131432D+01 -0.509901D+00
      5   0.166482D+00  0.628735D+00  0.428822D+00 -0.508286D+00  0.261704D+00
      6   0.509843D+00 -0.688513D+01 -0.444934D+00  0.315342D+01  0.933790D+01
               106           107           108           109           110 
      1   0.807354D+00 -0.740995D+01 -0.764437D+01  0.587172D+01 -0.300352D+01
      2  -0.295164D+00  0.901060D+01  0.504284D+01  0.339457D+01  0.955511D+01
      3  -0.512189D+00 -0.160065D+01  0.260152D+01 -0.926629D+01 -0.655159D+01
      4   0.430920D+01 -0.959487D+00 -0.341698D+01  0.205407D+02  0.133138D+02
      5   0.131017D+01 -0.575595D+00 -0.285547D+00 -0.407557D+01 -0.682614D+00
      6  -0.425527D+01  0.975660D+01  0.164226D+02 -0.174289D+01 -0.838909D+00
               111           112           113           114           115 
      1  -0.104374D+01  0.776548D+00 -0.119204D+01  0.388809D+00 -0.197597D+01
      2   0.101747D+01  0.358821D+01  0.632795D+01 -0.438520D+00  0.249691D+01
      3   0.262704D-01 -0.436475D+01 -0.513592D+01  0.497107D-01 -0.520939D+00
      4  -0.829875D+00  0.119898D+02  0.719163D+01  0.169909D+01 -0.145895D+01
      5   0.254310D+01 -0.274900D+00 -0.806647D-01  0.140850D+01  0.324958D+01
      6   0.344453D+01  0.111274D+01 -0.412669D+00  0.311162D+01  0.814902D+00
               116           117           118           119           120 
      1   0.559094D+00 -0.845728D+00  0.241441D+01  0.203959D+01  0.162886D+01
      2   0.327584D+00  0.550839D+00 -0.313727D+01 -0.228834D+01 -0.308084D+01
      3  -0.886677D+00  0.294890D+00  0.722855D+00  0.248748D+00  0.145199D+01
      4   0.133159D+01  0.118669D+01  0.347067D+01  0.657453D+01  0.138282D+01
      5   0.506872D+00 -0.737211D+00  0.579181D+01  0.382702D+01  0.742297D+01
      6   0.343990D+01 -0.611843D+00  0.193018D+01  0.520644D+01  0.191429D+01
               121           122           123           124           125 
      1   0.398539D+01 -0.264316D+01 -0.479838D+01  0.934296D+00 -0.272625D+01
      2  -0.424427D+01 -0.447796D+00 -0.664467D+01 -0.215661D+01 -0.334844D+01
      3   0.258873D+00  0.309096D+01  0.114430D+02  0.122231D+01  0.607469D+01
      4   0.632239D+01  0.130822D+02  0.641919D+01  0.698415D+00  0.451100D+01
      5   0.743548D+01  0.997098D+01  0.105236D+02  0.577797D+01  0.528298D+01
      6   0.546774D+01  0.177268D+02  0.996800D+01  0.206763D+01  0.938818D+01
               126           127           128           129           130 
      1  -0.396082D+01 -0.877538D+01 -0.532556D+01  0.125945D+02 -0.379441D+01
      2  -0.414673D+01  0.366539D+00  0.238360D+01  0.274358D+01  0.203313D+01
      3   0.810754D+01  0.840884D+01  0.294196D+01 -0.153381D+02  0.176127D+01
      4   0.381539D+01  0.560482D+01  0.314088D+01 -0.333808D+01  0.409167D+01
      5   0.601142D+01 -0.124781D+02 -0.356225D+01  0.549408D+01 -0.356066D+01
      6   0.627270D+01 -0.665310D+01 -0.585744D+01  0.704836D+01 -0.318191D+01
               131           132           133           134           135 
      1  -0.417701D+01  0.380231D+01  0.878118D+01  0.349301D+01 -0.107922D+02
      2   0.197458D+01 -0.100277D+01  0.151576D+01 -0.699925D+00 -0.427985D+01
      3   0.220244D+01 -0.279954D+01 -0.102969D+02 -0.279308D+01  0.150721D+02
      4   0.154518D+01  0.417408D+00 -0.248529D+01  0.436464D-01  0.206760D+01
      5   0.154915D+00  0.708654D+00  0.801879D+01  0.143460D+01 -0.462834D+01
      6  -0.392120D+01  0.677059D+01  0.423601D+01  0.612506D+01 -0.583048D+01
               136           137           138           139           140 
      1   0.114083D+02 -0.373370D+01  0.171773D+01 -0.500256D+01 -0.224433D+01
      2  -0.733143D+01  0.257190D-01 -0.564414D+01  0.690927D+00  0.558461D+01
      3  -0.407688D+01  0.370798D+01  0.392641D+01  0.431164D+01 -0.334029D+01
      4  -0.149308D+02  0.139523D+02 -0.824066D+01  0.144719D+02 -0.152094D+02
      5   0.188532D+02 -0.114290D+02  0.162246D+02 -0.126077D+02  0.126659D+02
      6  -0.108344D+02  0.113763D+02 -0.872303D+01  0.104111D+02 -0.145989D+02
               141           142           143           144           145 
      1   0.338869D+01  0.162774D+01  0.230361D+01 -0.213889D+01  0.100519D+01
      2   0.122185D+01 -0.428780D+01  0.898723D+00 -0.435478D+01 -0.261889D+01
      3  -0.461054D+01  0.266006D+01 -0.320233D+01  0.649368D+01  0.161370D+01
      4   0.905732D+01 -0.523317D+01  0.594338D+01 -0.701858D+01 -0.121773D+01
      5  -0.112828D+02  0.118137D+02 -0.753885D+01  0.113053D+02 -0.325066D+01
      6   0.129041D+02 -0.624487D+01  0.971243D+01 -0.927014D+01  0.803856D+00
               146           147           148           149           150 
      1  -0.136488D+01 -0.465117D+01 -0.172740D+01  0.667614D+00 -0.121448D+01
      2   0.475542D+00  0.248175D+01  0.481200D+00 -0.101706D+01  0.557160D+00
      3   0.889336D+00  0.216942D+01  0.124620D+01  0.349447D+00  0.657322D+00
      4   0.278285D+01  0.328391D+00  0.517662D+01 -0.148040D+00 -0.385393D+01
      5   0.164256D+00  0.609348D+01  0.704666D+00 -0.360929D+01 -0.126179D+01
      6   0.246409D-01  0.478466D+00 -0.125772D+01  0.135041D+01  0.624017D+01
               151           152           153           154           155 
      1  -0.830298D+01 -0.991043D+00 -0.124792D+02  0.156997D+02  0.863718D+01
      2   0.851016D+01  0.316512D+00 -0.191345D+02 -0.537917D+01 -0.273767D+01
      3  -0.207179D+00  0.674531D+00  0.316137D+02 -0.103206D+02 -0.589952D+01
      4   0.126023D+01 -0.591114D+01 -0.234161D+01  0.939617D+01  0.151321D+02
      5   0.151094D+02 -0.177133D+01 -0.436974D+02  0.107129D+01  0.238785D+00
      6  -0.188129D+01  0.681399D+01  0.775195D+01 -0.104421D+01 -0.241498D+01
               156           157           158           159           160 
      1   0.274586D+01  0.184593D+02  0.106499D+02  0.339298D+00  0.841667D+01
      2  -0.819403D+00 -0.793712D+01  0.269576D+01  0.128824D+01 -0.361440D+01
      3  -0.192645D+01 -0.105222D+02 -0.133457D+02 -0.162754D+01 -0.480227D+01
      4   0.104511D+01  0.182203D+02  0.289993D+02  0.284937D+01  0.262386D+01
      5   0.344022D+01 -0.191429D+01  0.287979D+01  0.811234D+01  0.373663D+01
      6   0.545877D+00 -0.156346D+01 -0.474749D+01  0.186076D+01  0.109177D+01
               161           162           163           164           165 
      1   0.170747D+01  0.491059D+00  0.420103D+02 -0.171203D+02  0.481811D+01
      2   0.267696D+00 -0.173879D+01 -0.161308D+02  0.447363D+01 -0.129686D+01
      3  -0.197516D+01  0.124773D+01 -0.258795D+02  0.126467D+02 -0.352125D+01
      4   0.633931D+01  0.420582D+01 -0.250095D+02  0.209737D+02 -0.250958D+01
      5   0.472826D+01  0.607847D+00  0.839429D+00 -0.394368D+00  0.739825D+01
      6   0.169337D+01  0.117913D+01  0.169167D+01 -0.245377D+01 -0.148492D+01
               166           167           168           169           170 
      1  -0.243485D+02  0.133714D+02 -0.139909D+01  0.131866D+02 -0.379513D+01
      2   0.648821D+01  0.228080D+01 -0.107281D+01 -0.479837D+01  0.554298D-01
      3   0.178603D+02 -0.156522D+02  0.247189D+01 -0.838823D+01  0.373970D+01
      4   0.261305D+02 -0.225871D+02  0.339823D+01 -0.704754D+01  0.742082D+01
      5   0.660650D+00  0.185910D+01 -0.751025D+01  0.731795D+01 -0.490210D+01
      6  -0.222162D+01  0.152629D+01  0.317063D+01 -0.182872D+01  0.206984D+01
               171 
      1   0.316527D+01
      2  -0.260716D+01
      3  -0.558110D+00
      4  -0.526984D+01
      5   0.207863D+01
      6  -0.888973D+00
 Leave Link  716 at Mon Aug 16 21:39:11 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.878827D+02  0.106433D+00 -0.243409D+01
      2   0.106433D+00  0.775290D+02  0.202699D+01
      3  -0.243409D+01  0.202699D+01  0.754923D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.237792D+01  0.137953D+01 -0.123181D+01
      2   0.559736D+01 -0.707958D+01  0.303821D+02
      3   0.752016D+01 -0.256506D+02  0.835504D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.728722D+02 -0.247036D+02  0.206514D+01
      2  -0.408645D+02  0.253118D+02 -0.968899D+01
      3  -0.320077D+02 -0.608130D+00  0.762385D+01
      4  -0.252872D+02  0.448386D+02 -0.186671D+02
      5   0.987953D+01 -0.212686D+02  0.609962D+02
      6  -0.466128D+01  0.892587D+00 -0.669196D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.147063D+00  0.220667D+01 -0.308773D+01  0.338707D+01 -0.427836D+01
      2   0.220667D+01 -0.394643D+01  0.163003D+00 -0.427836D+01 -0.239758D+01
      3  -0.308773D+01  0.163003D+00  0.868314D+00 -0.511843D-02 -0.190760D+01
                 6             7             8             9            10 
      1  -0.511843D-02 -0.412745D+01  0.488345D+00 -0.137985D+00  0.179581D+01
      2  -0.190760D+01  0.488345D+00 -0.218425D+01  0.337997D+00 -0.247136D+01
      3   0.374435D+00 -0.137985D+00  0.337997D+00  0.670025D+01  0.372056D+01
                11            12            13            14            15 
      1  -0.247136D+01  0.372056D+01 -0.554451D+01  0.404986D+01  0.252248D+00
      2   0.386932D+01  0.288713D+00  0.404986D+01  0.373735D+01  0.266569D+01
      3   0.288713D+00 -0.267955D+00  0.252248D+00  0.266569D+01  0.201447D+00
                16            17            18            19            20 
      1   0.594213D+01 -0.319493D+00  0.988554D-01 -0.394691D+01  0.391686D+01
      2  -0.319493D+00  0.299893D+01  0.255210D+00  0.391686D+01 -0.203743D+01
      3   0.988554D-01  0.255210D+00 -0.452839D+01 -0.110620D+01  0.521753D+00
                21            22            23            24            25 
      1  -0.110620D+01  0.633004D+01 -0.125186D+01 -0.350159D+00 -0.288856D+01
      2   0.521753D+00 -0.125186D+01 -0.246010D+00 -0.151259D+00  0.597044D+00
      3  -0.425269D+00 -0.350159D+00 -0.151259D+00  0.164893D+01 -0.660933D+00
                26            27            28            29            30 
      1   0.597044D+00 -0.660933D+00  0.163836D+01 -0.234308D+01 -0.921840D+00
      2  -0.214164D+01  0.210134D+01 -0.234308D+01  0.566525D+00  0.171567D+01
      3   0.210134D+01  0.606740D+01 -0.921840D+00  0.171567D+01  0.608015D+00
                31            32            33            34            35 
      1  -0.347934D+01 -0.106936D+00  0.188695D+01 -0.409110D+01  0.138794D+01
      2  -0.106936D+00 -0.374668D+00  0.526885D+00  0.138794D+01 -0.392957D+00
      3   0.188695D+01  0.526885D+00 -0.123696D+01  0.184638D+01 -0.106099D+01
                36            37            38            39            40 
      1   0.184638D+01  0.459658D+01  0.152019D+01 -0.171800D+01  0.216091D+00
      2  -0.106099D+01  0.152019D+01  0.179920D+01 -0.752130D+00  0.287837D-01
      3  -0.297810D+01 -0.171800D+01 -0.752130D+00  0.333947D+00 -0.987414D+00
                41            42            43            44            45 
      1   0.287837D-01 -0.987414D+00 -0.345900D+01 -0.173815D+01 -0.112715D+01
      2  -0.337721D+01 -0.169854D+01 -0.173815D+01 -0.221666D+01 -0.158728D+01
      3  -0.169854D+01 -0.793513D+00 -0.112715D+01 -0.158728D+01 -0.290070D+01
                46            47            48            49            50 
      1   0.118372D+01  0.295779D+01 -0.411572D+01  0.296534D+01 -0.320136D+01
      2   0.295779D+01 -0.305401D+01  0.162857D+00 -0.320136D+01 -0.234036D+01
      3  -0.411572D+01  0.162857D+00  0.608346D+00  0.638537D-01 -0.306575D+01
                51            52            53            54            55 
      1   0.638537D-01 -0.360333D+01 -0.147753D-01  0.283770D+00 -0.362712D+01
      2  -0.306575D+01 -0.147753D-01 -0.266006D+01 -0.946652D-01 -0.545865D+00
      3   0.251041D+00  0.283770D+00 -0.946652D-01  0.293342D+01  0.353079D-02
                56            57            58            59            60 
      1  -0.545865D+00  0.353079D-02 -0.182804D+01 -0.626664D+00  0.984489D-01
      2  -0.251362D+00 -0.222860D+00 -0.626664D+00  0.425669D+01 -0.159007D+01
      3  -0.222860D+00  0.132796D+01  0.984489D-01 -0.159007D+01 -0.129055D+01
                61            62            63            64            65 
      1  -0.232979D+00 -0.716313D+00  0.761160D+00 -0.625219D+01  0.229128D+01
      2  -0.716313D+00 -0.828109D+00 -0.393605D+00  0.229128D+01 -0.189969D+01
      3   0.761160D+00 -0.393605D+00 -0.359828D+01  0.289668D+01 -0.142734D+01
                66            67            68            69            70 
      1   0.289668D+01  0.411404D+01 -0.195639D+01 -0.119582D+01  0.582492D+01
      2  -0.142734D+01 -0.195639D+01  0.395715D+01  0.185147D+01 -0.794277D+00
      3  -0.195177D+01 -0.119582D+01  0.185147D+01  0.178001D+01 -0.300890D+01
                71            72            73            74            75 
      1  -0.794277D+00 -0.300890D+01  0.548861D+00 -0.751446D+00 -0.102553D+01
      2   0.253056D+01  0.217049D+01 -0.751446D+00  0.438560D+00  0.144909D-02
      3   0.217049D+01  0.627317D+01 -0.102553D+01  0.144909D-02  0.244531D+00
                76            77            78            79            80 
      1  -0.119894D+01  0.211374D+00  0.978252D-01 -0.143639D+01 -0.825420D-01
      2   0.211374D+00 -0.146935D+00 -0.124368D+01 -0.825420D-01 -0.166835D+01
      3   0.978252D-01 -0.124368D+01 -0.690670D+00  0.214794D+00 -0.803913D+00
                81            82            83            84            85 
      1   0.214794D+00 -0.131008D+01 -0.934085D+00 -0.971724D+00 -0.123056D+01
      2  -0.803913D+00 -0.934085D+00 -0.145440D+01 -0.113772D+00 -0.119741D+01
      3  -0.852252D+01 -0.971724D+00 -0.113772D+00 -0.442543D+00 -0.699786D-01
                86            87            88            89            90 
      1  -0.119741D+01 -0.699786D-01 -0.131953D+01 -0.111575D+00 -0.178307D+00
      2  -0.752153D+01 -0.150518D+01 -0.111575D+00 -0.169735D+01 -0.152132D+01
      3  -0.150518D+01 -0.167394D+01 -0.178307D+00 -0.152132D+01 -0.583278D+00
                91            92            93            94            95 
      1  -0.727448D+01 -0.344978D+01  0.186813D+00 -0.207689D+01 -0.173107D+01
      2  -0.344978D+01 -0.288845D+01 -0.327870D-01 -0.173107D+01 -0.218665D+01
      3   0.186813D+00 -0.327870D-01 -0.118151D+01  0.163700D+00 -0.116449D-01
                96            97            98            99           100 
      1   0.163700D+00  0.244807D+01  0.136095D+01 -0.933741D+00 -0.116685D+01
      2  -0.116449D-01  0.136095D+01  0.113460D+01 -0.545464D+00  0.111732D+00
      3  -0.617388D+00 -0.933741D+00 -0.545464D+00  0.352340D+00  0.514993D+00
               101           102           103           104           105 
      1   0.111732D+00  0.514993D+00  0.444842D+00 -0.325081D+00 -0.100034D+00
      2  -0.147573D+01 -0.228336D+00 -0.325081D+00  0.156715D+01  0.833140D+00
      3  -0.228336D+00 -0.181242D+01 -0.100034D+00  0.833140D+00  0.186212D+01
               106           107           108           109           110 
      1   0.167671D+01 -0.826090D-01 -0.863221D+00  0.571017D+01  0.206963D+01
      2  -0.826090D-01  0.236653D+01  0.173323D+01  0.206963D+01  0.273637D+01
      3  -0.863221D+00  0.173323D+01  0.391286D+01 -0.345152D+00  0.942826D-01
               111           112           113           114           115 
      1  -0.345152D+00  0.224989D+01  0.114840D+01  0.369019D+00 -0.840398D+00
      2   0.942826D-01  0.114840D+01  0.188982D+01 -0.451305D-01  0.333122D+00
      3   0.802949D+00  0.369019D+00 -0.451305D-01  0.762156D+00  0.250857D+00
               116           117           118           119           120 
      1   0.333122D+00  0.250857D+00  0.957935D+00  0.656102D+00  0.106519D+01
      2  -0.437462D+00  0.535397D+00  0.656102D+00  0.137423D+01  0.494905D+00
      3   0.535397D+00 -0.329195D+00  0.106519D+01  0.494905D+00  0.862659D+00
               121           122           123           124           125 
      1   0.142670D+01  0.119255D+01  0.880046D+00  0.856793D+00  0.384458D+00
      2   0.119255D+01  0.484359D+01  0.182779D+01  0.384458D+00  0.164692D+01
      3   0.880046D+00  0.182779D+01  0.301720D+01  0.456172D+00  0.137236D+01
               126           127           128           129           130 
      1   0.456172D+00 -0.493987D+01 -0.113659D+01  0.218583D+01 -0.116407D+01
      2   0.137236D+01 -0.113659D+01 -0.109290D+01  0.881961D+00 -0.528233D+00
      3   0.166694D+01  0.218583D+01  0.881961D+00 -0.327133D+01  0.493100D+00
               131           132           133           134           135 
      1  -0.528233D+00  0.493100D+00  0.190837D+01  0.496976D+00 -0.180157D+01
      2  -0.718129D+00  0.115200D+01  0.496976D+00  0.966973D+00 -0.692597D+00
      3   0.115200D+01 -0.990203D+00 -0.180157D+01 -0.692597D+00  0.261725D+01
               136           137           138           139           140 
      1   0.382276D+01 -0.240673D+01  0.237405D+01 -0.275218D+01  0.239655D+01
      2  -0.240673D+01  0.248266D+01 -0.133285D+01  0.239655D+01 -0.318158D+01
      3   0.237405D+01 -0.133285D+01  0.233889D+01 -0.135768D+01  0.218188D+01
               141           142           143           144           145 
      1  -0.135768D+01  0.146801D+01 -0.873413D+00  0.149028D+01  0.111845D+00
      2   0.218188D+01 -0.873413D+00  0.148126D+01 -0.145404D+01 -0.181972D+00
      3  -0.235681D+01  0.149028D+01 -0.145404D+01  0.193721D+01 -0.695976D+00
               146           147           148           149           150 
      1  -0.181972D+00 -0.695976D+00 -0.461926D+00  0.693759D+00  0.572790D-01
      2   0.227750D+00 -0.991076D-02  0.693759D+00 -0.217528D-01 -0.882922D+00
      3  -0.991076D-02 -0.442328D-01  0.572790D-01 -0.882922D+00 -0.374980D+00
               151           152           153           154           155 
      1  -0.203845D+01  0.140699D+00  0.181477D+01  0.221800D+01  0.142891D+01
      2   0.140699D+00 -0.119385D+01 -0.316266D+00  0.142891D+01  0.204696D+01
      3   0.181477D+01 -0.316266D+00 -0.920509D+01  0.394258D+00  0.744301D-01
               156           157           158           159           160 
      1   0.394258D+00  0.320176D+01  0.227303D+01 -0.152867D+00  0.146726D+01
      2   0.744301D-01  0.227303D+01  0.525594D+01  0.522114D+00  0.316341D+00
      3   0.477198D+00 -0.152867D+00  0.522114D+00  0.132707D+01  0.515531D+00
               161           162           163           164           165 
      1   0.316341D+00  0.515531D+00  0.608052D+01 -0.293826D+01  0.645977D+00
      2   0.120803D+01  0.754460D+00 -0.293826D+01  0.255882D+01 -0.279032D+00
      3   0.754460D+00  0.182532D-01  0.645977D+00 -0.279032D+00  0.924214D+00
               166           167           168           169           170 
      1  -0.459932D+01  0.320906D+01 -0.143391D+00  0.244492D+01 -0.772729D+00
      2   0.320906D+01 -0.299528D+01  0.540823D+00 -0.772729D+00  0.108689D+01
      3  -0.143391D+00  0.540823D+00 -0.119939D+01  0.979249D+00 -0.790346D+00
               171 
      1   0.979249D+00
      2  -0.790346D+00
      3   0.166455D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.314083D+01  0.342943D+01  0.423944D+00  0.435933D+01  0.131402D+01
      2  -0.804703D+01  0.218207D+01  0.852394D+00  0.317006D+01 -0.875366D+01
      3  -0.652987D+01  0.868899D+01  0.106844D+01  0.157716D+02  0.978079D+01
                 6             7             8             9            10 
      1  -0.607070D+00  0.584601D+00  0.331680D+01  0.117027D+01  0.322358D+01
      2   0.670019D+00 -0.812938D+01  0.121926D+01  0.198970D+02  0.686982D+01
      3   0.402216D+01 -0.115055D+01  0.599963D+01 -0.104355D+01  0.406893D+00
                11            12            13            14            15 
      1  -0.852343D+00  0.167523D-01 -0.784219D+00  0.391831D+01 -0.492540D+01
      2  -0.130013D+01  0.412804D+01 -0.375330D+01  0.403961D+01 -0.101222D+00
      3  -0.369381D+01 -0.161165D+01  0.184922D+01 -0.108935D+02 -0.291164D+01
                16            17            18            19            20 
      1  -0.524349D+00  0.165680D+01 -0.245804D+01 -0.251718D+01 -0.641397D+00
      2  -0.239287D+01  0.864259D+00 -0.434056D+01 -0.157036D+01  0.196276D+01
      3  -0.817723D+00 -0.233614D+01 -0.765964D+00  0.747816D+01 -0.587427D+01
                21            22            23            24            25 
      1  -0.138323D+01  0.219015D+01 -0.247581D+00  0.277174D+01 -0.284695D+01
      2   0.212003D+01  0.538353D+01 -0.151836D+01  0.211722D+01 -0.710419D+01
      3   0.743759D+00  0.864712D+00  0.100145D+01 -0.105333D+01 -0.198754D+01
                26            27            28            29            30 
      1   0.491888D+01 -0.235403D+01  0.147399D+01  0.347451D+01  0.218646D+01
      2   0.919899D+00 -0.176269D+01 -0.601447D+01 -0.150230D+01 -0.491874D+01
      3   0.156839D+01  0.534810D+00 -0.944795D+01  0.278458D+01 -0.172106D+01
                31            32            33            34            35 
      1  -0.169147D-01 -0.866318D+01 -0.565392D+00  0.600683D+00  0.191481D+01
      2   0.335073D+01  0.205559D+01  0.257266D+00 -0.940605D+01  0.582212D+00
      3   0.348372D+01  0.386763D+01 -0.205658D+01 -0.638942D+01 -0.708302D+01
                36            37            38            39            40 
      1   0.710549D+01 -0.276029D+01 -0.549440D+00 -0.444228D+00 -0.246356D-01
      2   0.874762D+01  0.569006D+01  0.258004D+01  0.792889D+00 -0.248053D+01
      3  -0.226774D+01 -0.752624D+00 -0.567336D+00  0.832740D+00  0.570798D+01
                41            42            43            44            45 
      1   0.274759D+01 -0.458473D+01  0.250948D+01  0.365460D+01 -0.318927D+01
      2   0.223789D+01  0.208908D+01 -0.477002D+01  0.150861D+01  0.609081D+01
      3  -0.771068D+01 -0.220250D+01  0.267379D+01 -0.250204D+01 -0.283816D+01
                46            47            48            49            50 
      1   0.280842D+01 -0.557263D+01  0.523632D+00 -0.579416D+01 -0.712638D+01
      2  -0.940963D+01 -0.582146D+01  0.125240D+02 -0.426057D+01  0.166519D+01
      3  -0.492267D+01  0.486268D-01  0.186797D+01  0.443874D+01  0.554955D+01
                51            52            53            54            55 
      1  -0.928269D+01 -0.157071D+00 -0.360521D+01  0.278675D+01  0.123693D+01
      2  -0.340799D+00  0.560878D+01  0.171836D+00  0.200355D+01 -0.215065D+01
      3   0.372895D+01  0.186986D+01  0.339513D+01  0.180786D+00 -0.130365D+02
                56            57            58            59            60 
      1   0.271064D+01 -0.287316D+01  0.629373D+00 -0.226676D+01 -0.336459D+01
      2   0.191346D+00  0.257687D+01 -0.760068D+00 -0.279816D+00 -0.131718D+01
      3  -0.677816D+01 -0.585386D+00  0.508871D+01 -0.529402D+00  0.513992D+00
                61            62            63            64            65 
      1  -0.205553D+01  0.670606D+01  0.100294D+02 -0.676908D+00 -0.296814D+01
      2  -0.191343D+01 -0.134314D+00  0.939210D+00 -0.156385D+01  0.254529D+01
      3  -0.251881D+01 -0.202925D+01  0.341659D+01  0.238745D+01 -0.843569D+01
                66            67            68            69            70 
      1   0.101489D+01  0.871151D+00  0.283727D+01 -0.327599D+01 -0.237764D-01
      2   0.928268D+01  0.707582D+00 -0.493633D+01 -0.342961D+01  0.805982D+00
      3  -0.942802D+00  0.108866D+01  0.640846D+01  0.370043D+01  0.408747D+01
                71            72            73            74            75 
      1   0.514718D+01 -0.252480D+01  0.453429D+00 -0.385338D+00  0.247687D+00
      2  -0.374460D+01 -0.137426D+02  0.750567D+00 -0.645973D+00 -0.762705D-01
      3   0.756946D+01  0.367130D+01 -0.178321D+00 -0.130753D+00 -0.419736D+00
                76            77            78            79            80 
      1  -0.684754D+00  0.724945D+00 -0.182582D+00  0.384140D+00  0.358626D+01
      2  -0.111154D+01  0.156627D+00 -0.294049D+00 -0.449868D+01 -0.301099D-01
      3   0.163399D+01 -0.172665D+00 -0.169384D+00  0.460814D+00 -0.188068D+00
                81            82            83            84            85 
      1   0.153842D+01 -0.123076D+01  0.918764D-01 -0.633745D+00 -0.225846D+00
      2   0.563353D+00 -0.163831D+01 -0.260630D+00  0.842890D-01 -0.578438D+00
      3  -0.344674D-01  0.357602D+01  0.142834D+01  0.111075D+01  0.566212D+01
                86            87            88            89            90 
      1   0.314522D+00 -0.399914D+01 -0.105210D+00  0.318439D+00 -0.390650D+00
      2  -0.147300D+01 -0.139662D+01 -0.204349D+01 -0.155616D+01 -0.509918D+00
      3   0.842235D+01  0.182957D+01  0.201797D+01  0.170638D+01  0.175077D+01
                91            92            93            94            95 
      1   0.311391D+01  0.188027D+01 -0.185637D+01  0.185180D+01  0.173119D+01
      2  -0.508483D+01 -0.264551D+01  0.376520D+01 -0.238187D+01 -0.166903D+01
      3   0.170701D+01 -0.371425D+01 -0.649523D+00  0.353910D+00 -0.184673D+01
                96            97            98            99           100 
      1  -0.850162D+00 -0.158062D+01 -0.620333D+00  0.121709D+01 -0.173867D+01
      2   0.150659D+01  0.263243D+01  0.147398D+01 -0.234264D+01  0.564381D+00
      3   0.122942D+00  0.696166D-01  0.195403D+01 -0.267573D+00 -0.274293D+01
               101           102           103           104           105 
      1  -0.386722D+00  0.464247D+01 -0.201984D+00 -0.179616D+01 -0.495104D+01
      2   0.539005D+00  0.571520D-01  0.425895D+00  0.126608D+00  0.610611D-01
      3  -0.108695D+01  0.146429D+01  0.523509D+00 -0.817555D+00 -0.129612D+00
               106           107           108           109           110 
      1   0.254024D+01 -0.264173D+01 -0.117054D+02 -0.609282D+00 -0.145653D+01
      2  -0.235601D+01  0.569985D-01 -0.109576D+01  0.241773D+01  0.406455D+00
      3   0.515753D+01 -0.266575D+00 -0.290597D+01  0.166228D+02  0.101192D+01
               111           112           113           114           115 
      1  -0.277638D+01 -0.144913D+01 -0.707543D+00 -0.149423D+01 -0.515400D+00
      2   0.191473D+01  0.644441D+00  0.390970D+00  0.109042D+01 -0.956370D+00
      3  -0.295072D+00  0.441210D+01  0.191150D+01  0.100227D+01 -0.166716D+01
               116           117           118           119           120 
      1   0.306075D+00 -0.516637D+00  0.189433D+01  0.296325D+01  0.110261D+01
      2   0.489959D+00  0.949031D-01  0.157822D+00 -0.534965D+00  0.610275D+00
      3   0.794577D+00  0.728754D-01 -0.643692D+00 -0.291253D+01 -0.100795D+01
               121           122           123           124           125 
      1   0.228637D+01  0.129951D+02  0.243795D+01  0.141037D+01  0.499238D+01
      2  -0.256515D+01  0.250192D+00  0.324533D+01 -0.222245D+01  0.873690D+00
      3   0.201423D+00 -0.800648D+01 -0.218879D+01 -0.618205D+00 -0.186927D+01
               126           127           128           129           130 
      1   0.324896D+01 -0.223926D+00 -0.254922D+01 -0.128723D+01 -0.890177D+00
      2   0.116386D+01  0.152741D+02  0.292338D+01 -0.545807D+01  0.265399D+01
      3  -0.218217D+01  0.534303D+01  0.201529D+00 -0.181094D+01  0.234239D+01
               131           132           133           134           135 
      1  -0.622736D-01  0.258398D+00 -0.372221D+00  0.256417D+01  0.490205D+00
      2   0.210670D+01 -0.163301D+01 -0.772462D+01 -0.184793D+01  0.544670D+01
      3   0.691844D+00 -0.141661D+01 -0.174090D+01 -0.566559D+00  0.190953D+01
               136           137           138           139           140 
      1  -0.256714D+01  0.458164D+01  0.423383D+00  0.338097D+01 -0.456108D+01
      2  -0.411946D+01  0.241748D+01  0.132531D+01  0.398635D+01 -0.128756D+01
      3  -0.250193D+00 -0.327326D+01  0.317907D+00  0.394094D+00  0.328130D+01
               141           142           143           144           145 
      1   0.350749D+00 -0.640469D+00  0.283533D+01 -0.702195D+00 -0.194380D+00
      2  -0.158169D+01 -0.265463D+01  0.714096D-01  0.345787D+00 -0.243631D+01
      3  -0.201471D+01 -0.480826D+00 -0.189801D+01  0.792374D+00  0.719887D+00
               146           147           148           149           150 
      1  -0.101083D+00 -0.404621D-01 -0.511776D+00 -0.361915D+00 -0.244109D+00
      2  -0.125472D+00  0.464958D+00 -0.296629D+00 -0.120915D+01 -0.843638D+00
      3  -0.127005D+01  0.317376D+00 -0.766323D+00 -0.618639D+00  0.191295D+01
               151           152           153           154           155 
      1   0.407262D+00  0.382310D+01 -0.268008D+01 -0.108379D+01 -0.174327D+01
      2  -0.802419D+00 -0.654630D+00 -0.228486D+02  0.270517D+01  0.155438D+01
      3   0.488949D+00  0.333845D+01  0.347913D+00 -0.444527D+01 -0.678983D+01
               156           157           158           159           160 
      1  -0.776992D+00 -0.175042D+01 -0.393169D+01 -0.244506D+01 -0.303676D+00
      2   0.250415D+01  0.159559D+01  0.396590D+01  0.464981D+01  0.909952D+00
      3  -0.389590D+00 -0.384542D+01 -0.180979D+02 -0.208453D+01 -0.330377D+00
               161           162           163           164           165 
      1   0.293226D+00 -0.982255D+00  0.253855D+01 -0.192552D+01  0.148997D+01
      2   0.222525D+01  0.796311D+00  0.638847D+01 -0.345299D+01  0.519535D+01
      3  -0.411474D+01 -0.205692D+01  0.465521D+01 -0.840090D+01  0.697244D+00
               166           167           168           169           170 
      1  -0.201835D+01  0.212889D+01 -0.279189D+01  0.742014D+00 -0.403017D+00
      2  -0.373006D+01  0.413162D+01 -0.474896D+01  0.307722D+01 -0.254405D+01
      3  -0.526486D+01  0.783314D+01 -0.182172D+01  0.875511D+00 -0.347238D+01
               171 
      1   0.930004D+00
      2   0.176986D+01
      3   0.168556D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.765540D+00  0.118033D+02 -0.162577D+02  0.127364D+02 -0.260127D+02
      2  -0.562559D+01 -0.410443D+01  0.752792D+01 -0.419358D+01  0.823061D+01
      3   0.639113D+01 -0.769884D+01  0.872977D+01 -0.854285D+01  0.177821D+02
      4   0.150583D+02 -0.227425D+02  0.265439D+01 -0.302175D+02 -0.100859D+02
      5  -0.172956D+02 -0.598078D+00  0.585618D+01 -0.127145D+01 -0.752613D+01
      6   0.320293D+00  0.278179D+01 -0.764091D+00  0.224256D+01  0.367678D+01
                 6             7             8             9            10 
      1  -0.176612D+00 -0.201920D+02  0.253485D+01  0.120823D+02 -0.825559D+01
      2   0.124512D+01  0.631212D+01  0.105559D+00  0.776055D+01 -0.154690D+00
      3  -0.106851D+01  0.138799D+02 -0.264041D+01 -0.198428D+02  0.841028D+01
      4  -0.950626D+01  0.471388D+01 -0.120004D+02  0.221895D+01 -0.487049D+01
      5   0.804548D+00  0.259460D+01  0.142880D+01  0.285352D+02  0.139933D+02
      6   0.176987D+01  0.219760D+00  0.200385D+01 -0.682887D+01 -0.422974D+01
                11            12            13            14            15 
      1  -0.213502D+01  0.120156D+02 -0.234136D+01  0.176572D+02  0.356943D+01
      2   0.579157D-01 -0.837611D+01  0.889147D-01 -0.207820D+02 -0.549291D+01
      3   0.207710D+01 -0.363948D+01  0.225245D+01  0.312478D+01  0.192347D+01
      4   0.823859D+01 -0.221489D+01  0.169148D+02  0.270760D+01  0.432356D+01
      5   0.380308D+00 -0.189994D+01  0.490277D+00  0.443509D+01  0.231038D+00
      6   0.584223D-01  0.516080D+00  0.419053D+00 -0.876942D+01  0.327597D+01
                16            17            18            19            20 
      1   0.160082D+02  0.831674D+00  0.220377D+01 -0.340011D+01 -0.265888D+00
      2  -0.779111D+01 -0.350067D+01 -0.178093D+01  0.765428D+01 -0.393007D+01
      3  -0.821706D+01  0.266899D+01 -0.422844D+00 -0.425417D+01  0.419596D+01
      4  -0.409066D+01  0.512676D+01  0.121990D+01 -0.104795D+01 -0.586028D+00
      5  -0.116875D+01  0.153306D+01 -0.109725D+02 -0.440558D+01 -0.927392D+00
      6  -0.199037D+00 -0.225256D+01  0.394177D+01  0.122553D+01  0.902668D+00
                21            22            23            24            25 
      1  -0.236436D+01  0.296314D+01  0.749374D+00  0.386420D+00 -0.839525D+01
      2   0.429328D+01 -0.403362D+01 -0.162212D+01  0.391382D+01  0.455930D+01
      3  -0.192892D+01  0.107049D+01  0.872751D+00 -0.430024D+01  0.383596D+01
      4   0.606054D+00 -0.110048D+02  0.387765D+01 -0.197515D+01  0.259750D+01
      5   0.201467D+01  0.921583D+00  0.803562D+00  0.410703D+01  0.234291D+01
      6  -0.656089D+00 -0.302948D+01  0.477346D+01 -0.781578D+01 -0.105550D+01
                26            27            28            29            30 
      1   0.709894D+01  0.771287D+01 -0.818368D+01  0.895866D+01 -0.282818D+00
      2  -0.432931D+01  0.163950D+02  0.365530D+01 -0.729223D+01 -0.340156D+01
      3  -0.276963D+01 -0.241078D+02  0.452838D+01 -0.166642D+01  0.368438D+01
      4   0.374747D+00 -0.146823D+01  0.685478D+01 -0.882784D+01 -0.816531D+01
      5  -0.610788D+00  0.324295D+00  0.697270D+01 -0.765559D+01 -0.121132D+02
      6   0.509094D+01 -0.170549D+01 -0.540788D+01  0.162065D+01 -0.276249D+01
                31            32            33            34            35 
      1   0.137499D+02  0.409420D+01 -0.442816D+01  0.152540D+02 -0.181064D+01
      2  -0.772527D+01 -0.664123D+01  0.887709D+01 -0.875769D+01 -0.390758D+01
      3  -0.602462D+01  0.254704D+01 -0.444893D+01 -0.649628D+01  0.571822D+01
      4  -0.502805D+01 -0.260749D+01 -0.615653D+00 -0.105191D+02  0.774980D+01
      5  -0.164925D+02 -0.231102D-01 -0.312255D+01 -0.114178D+02  0.110726D+01
      6  -0.319305D+01 -0.631378D+01 -0.232554D+01 -0.137981D+01 -0.164517D+01
                36            37            38            39            40 
      1  -0.738255D+01 -0.157238D+02 -0.741505D+01  0.755850D+01 -0.654366D+01
      2   0.573807D+01  0.291164D+01  0.321707D+01 -0.465607D+01  0.290930D+01
      3   0.164447D+01  0.128122D+02  0.419798D+01 -0.290243D+01  0.363436D+01
      4   0.373597D+01 -0.131131D+02 -0.356119D+01  0.617498D+01  0.576947D+01
      5   0.145197D+02  0.786976D+01  0.376295D+01  0.734048D+01  0.812931D+01
      6  -0.552668D+01  0.545245D+01  0.223652D+01  0.154474D+01  0.561334D+01
                41            42            43            44            45 
      1  -0.156013D+02 -0.100232D+01  0.123639D+02  0.864533D+00 -0.405888D+01
      2   0.211481D+02  0.555575D-01 -0.515742D+01  0.284575D+01 -0.414368D+01
      3  -0.554684D+01  0.946762D+00 -0.720648D+01 -0.371028D+01  0.820256D+01
      4   0.152386D+02  0.752960D+01  0.134538D+02  0.109275D+02  0.549841D+01
      5   0.774927D+01  0.766701D+01  0.122717D+02  0.837293D+01  0.152585D+02
      6   0.861230D+01  0.979933D+01  0.332539D+01  0.100272D+02  0.915864D+01
                46            47            48            49            50 
      1   0.119706D+02  0.613526D+01 -0.103095D+02  0.480979D+01 -0.433266D+01
      2  -0.132566D+01 -0.152775D-01  0.264047D+01  0.351734D+00  0.974174D+01
      3  -0.106450D+02 -0.611998D+01  0.766907D+01 -0.516152D+01 -0.540908D+01
      4   0.571261D+01 -0.131563D+02  0.823593D+01 -0.149166D+02 -0.205149D+01
      5  -0.532068D+01  0.964746D+01 -0.108218D+02  0.775613D+01 -0.177034D+02
      6   0.149648D+02 -0.108650D+02  0.180414D-01 -0.122165D+02 -0.496858D+01
                51            52            53            54            55 
      1   0.975329D+00 -0.958402D+01 -0.542418D+00 -0.716904D+01  0.147137D+01
      2   0.318745D+01  0.247176D+01  0.254142D+01 -0.579645D+01 -0.303695D+01
      3  -0.416278D+01  0.711225D+01 -0.199900D+01  0.129655D+02  0.156559D+01
      4  -0.112199D+02  0.663272D+01 -0.823166D+01 -0.502281D-01 -0.175725D+02
      5   0.694725D+00 -0.112949D+02 -0.622029D+00  0.893747D+01  0.573034D+01
      6  -0.134097D+02  0.334026D-01 -0.998619D+01 -0.470087D+00 -0.168967D+01
                56            57            58            59            60 
      1  -0.207621D+01  0.234535D+01 -0.261999D+01 -0.211591D+02  0.383227D+01
      2  -0.136102D+01 -0.228114D+01  0.647129D+00  0.321542D+02 -0.611592D+01
      3   0.343724D+01 -0.642098D-01  0.197286D+01 -0.109951D+02  0.228364D+01
      4  -0.453768D+00 -0.273347D+01  0.330005D+01 -0.432833D+01  0.543224D+00
      5  -0.169023D+01  0.447927D+01 -0.419104D+00 -0.446877D+00 -0.306042D+01
      6  -0.144536D+01  0.455918D+01  0.929252D+00 -0.722602D+01  0.712312D+01
                61            62            63            64            65 
      1   0.120907D+01  0.574416D+01 -0.135058D+01  0.342678D+02 -0.885455D+01
      2  -0.381764D+01 -0.250119D+01 -0.586338D+01 -0.185396D+02  0.366873D+01
      3   0.260858D+01 -0.324297D+01  0.721395D+01 -0.157282D+02  0.518582D+01
      4  -0.247127D+01 -0.564445D+00  0.300899D+01 -0.140349D+02  0.171023D+02
      5   0.343179D+01 -0.670206D-01  0.150214D+01 -0.172986D+02  0.793321D+01
      6   0.252757D+01  0.206229D+01 -0.175027D+02  0.229336D+01 -0.312161D+01
                66            67            68            69            70 
      1  -0.905930D+01 -0.135946D+02  0.853375D+00  0.135898D+01 -0.148291D+02
      2   0.935330D+01  0.580768D+01  0.538928D+01 -0.237276D+01  0.102740D+02
      3  -0.293994D+00  0.778695D+01 -0.624265D+01  0.101378D+01  0.455506D+01
      4   0.798051D+01  0.160981D+02 -0.163438D+02 -0.919612D+01  0.564449D+01
      5   0.189063D+02  0.779470D+01 -0.932825D+01 -0.656505D+01  0.219131D+02
      6  -0.168209D+01 -0.397992D+01  0.344374D+01  0.769014D+01 -0.276006D+01
                71            72            73            74            75 
      1  -0.710689D+00  0.242946D+01  0.123278D+01  0.156397D+00  0.704636D-01
      2   0.470637D+00 -0.147768D+02 -0.492808D+01  0.611702D+00 -0.328042D-01
      3   0.240052D+00  0.123474D+02  0.369531D+01 -0.768099D+00 -0.376593D-01
      4  -0.131068D+02 -0.107040D+02 -0.212730D+00  0.156078D+01 -0.326903D+00
      5  -0.879489D+01 -0.294518D+02 -0.424359D-01  0.418458D+00  0.604816D+01
      6   0.743706D+01  0.416653D+01 -0.152702D+00  0.303784D+00 -0.226928D+00
                76            77            78            79            80 
      1   0.846446D+00 -0.367904D+01 -0.958228D+00  0.934253D+00  0.618229D-01
      2   0.264970D+00 -0.636136D+00 -0.274357D+01  0.362408D+00 -0.423591D+01
      3  -0.111142D+01  0.431517D+01  0.370179D+01 -0.129666D+01  0.417409D+01
      4   0.239770D+01 -0.230964D+00  0.499047D+00  0.165752D+00 -0.261971D-01
      5   0.445213D+00 -0.621922D-01 -0.463411D+00  0.553496D+01  0.351004D-01
      6   0.816383D+00  0.455142D+00  0.720153D+01  0.815759D+00  0.484321D+01
                81            82            83            84            85 
      1  -0.188256D+02 -0.724331D+00 -0.355636D+01 -0.245663D+01 -0.525135D+01
      2  -0.188405D+02  0.401296D+01  0.467136D+01  0.210379D+01  0.541410D+01
      3   0.376661D+02 -0.328863D+01 -0.111500D+01  0.352839D+00 -0.162749D+00
      4   0.885473D+00  0.102534D+01  0.375790D+01  0.894656D+00  0.312462D+01
      5   0.387792D+00 -0.146225D+01  0.759429D+00  0.101093D+01  0.121122D+01
      6  -0.100476D+01  0.171800D+01  0.167937D+01  0.783153D+00  0.124012D+01
                86            87            88            89            90 
      1  -0.188538D+02 -0.247952D+01 -0.383067D+01 -0.377186D+01 -0.486533D+01
      2   0.299858D+02  0.521627D+01  0.241641D+01  0.406281D+01  0.292334D+01
      3  -0.111320D+02 -0.273675D+01  0.141426D+01 -0.290950D+00  0.194199D+01
      4  -0.925970D+01 -0.184742D+01  0.616113D+00 -0.216046D+01 -0.156268D+01
      5  -0.208439D+01 -0.333393D+01  0.225423D+01 -0.208484D+01 -0.143328D+00
      6   0.788185D+01  0.694986D+01  0.137689D+01  0.852489D+01  0.435495D+01
                91            92            93            94            95 
      1   0.354251D+02  0.134294D+02 -0.207427D+01  0.580409D+01  0.439939D+01
      2  -0.124191D+02 -0.214880D+01 -0.941030D-01  0.938995D+00  0.255652D+01
      3  -0.230060D+02 -0.112806D+02  0.216837D+01 -0.674309D+01 -0.695591D+01
      4   0.262015D+02  0.178427D+02 -0.585644D+00  0.122945D+02  0.116307D+02
      5   0.288035D+01  0.166815D+01  0.542577D+01  0.562534D+00  0.854014D+00
      6  -0.985914D+00  0.296683D+00  0.233206D+01  0.402189D+00  0.384878D+00
                96            97            98            99           100 
      1  -0.566299D+00 -0.107905D+02 -0.479250D+01  0.310024D+01  0.228046D+00
      2  -0.251879D+00  0.338009D+01  0.268985D+00 -0.127523D+01  0.434883D-01
      3   0.818178D+00  0.741042D+01  0.452352D+01 -0.182501D+01 -0.271534D+00
      4  -0.445822D+00 -0.941000D+01 -0.680803D+01  0.398890D+01 -0.174875D+01
      5   0.208098D+01  0.508677D+01  0.264401D+01 -0.198629D+01 -0.806725D+00
      6   0.186980D+01  0.320189D+01  0.242405D+01 -0.158129D+01  0.234035D+01
               101           102           103           104           105 
      1   0.383322D+01 -0.240893D+00  0.102184D+01 -0.423321D+01 -0.236979D+01
      2  -0.533349D+01 -0.855798D+00 -0.142872D+01  0.644829D+01  0.327587D+01
      3   0.150027D+01  0.109669D+01  0.406883D+00 -0.221507D+01 -0.906086D+00
      4   0.248411D+01  0.166858D+01  0.274721D+01 -0.131432D+01 -0.509901D+00
      5   0.166482D+00  0.628735D+00  0.428822D+00 -0.508286D+00  0.261704D+00
      6   0.509843D+00 -0.688513D+01 -0.444934D+00  0.315342D+01  0.933790D+01
               106           107           108           109           110 
      1   0.807354D+00 -0.740995D+01 -0.764437D+01  0.587172D+01 -0.300352D+01
      2  -0.295164D+00  0.901060D+01  0.504284D+01  0.339457D+01  0.955511D+01
      3  -0.512189D+00 -0.160065D+01  0.260152D+01 -0.926629D+01 -0.655159D+01
      4   0.430920D+01 -0.959487D+00 -0.341698D+01  0.205407D+02  0.133138D+02
      5   0.131017D+01 -0.575595D+00 -0.285547D+00 -0.407557D+01 -0.682614D+00
      6  -0.425527D+01  0.975660D+01  0.164226D+02 -0.174289D+01 -0.838909D+00
               111           112           113           114           115 
      1  -0.104374D+01  0.776548D+00 -0.119204D+01  0.388809D+00 -0.197597D+01
      2   0.101747D+01  0.358821D+01  0.632795D+01 -0.438520D+00  0.249691D+01
      3   0.262704D-01 -0.436475D+01 -0.513592D+01  0.497107D-01 -0.520939D+00
      4  -0.829875D+00  0.119898D+02  0.719163D+01  0.169909D+01 -0.145895D+01
      5   0.254310D+01 -0.274900D+00 -0.806647D-01  0.140850D+01  0.324958D+01
      6   0.344453D+01  0.111274D+01 -0.412669D+00  0.311162D+01  0.814902D+00
               116           117           118           119           120 
      1   0.559094D+00 -0.845728D+00  0.241441D+01  0.203959D+01  0.162886D+01
      2   0.327584D+00  0.550839D+00 -0.313727D+01 -0.228834D+01 -0.308084D+01
      3  -0.886677D+00  0.294890D+00  0.722855D+00  0.248748D+00  0.145199D+01
      4   0.133159D+01  0.118669D+01  0.347067D+01  0.657453D+01  0.138282D+01
      5   0.506872D+00 -0.737211D+00  0.579181D+01  0.382702D+01  0.742297D+01
      6   0.343990D+01 -0.611843D+00  0.193018D+01  0.520644D+01  0.191429D+01
               121           122           123           124           125 
      1   0.398539D+01 -0.264316D+01 -0.479838D+01  0.934296D+00 -0.272625D+01
      2  -0.424427D+01 -0.447796D+00 -0.664467D+01 -0.215661D+01 -0.334844D+01
      3   0.258873D+00  0.309096D+01  0.114430D+02  0.122231D+01  0.607469D+01
      4   0.632239D+01  0.130822D+02  0.641919D+01  0.698415D+00  0.451100D+01
      5   0.743548D+01  0.997098D+01  0.105236D+02  0.577797D+01  0.528298D+01
      6   0.546774D+01  0.177268D+02  0.996800D+01  0.206763D+01  0.938818D+01
               126           127           128           129           130 
      1  -0.396082D+01 -0.877538D+01 -0.532556D+01  0.125945D+02 -0.379441D+01
      2  -0.414673D+01  0.366539D+00  0.238360D+01  0.274358D+01  0.203313D+01
      3   0.810754D+01  0.840884D+01  0.294196D+01 -0.153381D+02  0.176127D+01
      4   0.381539D+01  0.560482D+01  0.314088D+01 -0.333808D+01  0.409167D+01
      5   0.601142D+01 -0.124781D+02 -0.356225D+01  0.549408D+01 -0.356066D+01
      6   0.627270D+01 -0.665310D+01 -0.585744D+01  0.704836D+01 -0.318191D+01
               131           132           133           134           135 
      1  -0.417701D+01  0.380231D+01  0.878118D+01  0.349301D+01 -0.107922D+02
      2   0.197458D+01 -0.100277D+01  0.151576D+01 -0.699925D+00 -0.427985D+01
      3   0.220244D+01 -0.279954D+01 -0.102969D+02 -0.279308D+01  0.150721D+02
      4   0.154518D+01  0.417408D+00 -0.248529D+01  0.436464D-01  0.206760D+01
      5   0.154915D+00  0.708654D+00  0.801879D+01  0.143460D+01 -0.462834D+01
      6  -0.392120D+01  0.677059D+01  0.423601D+01  0.612506D+01 -0.583048D+01
               136           137           138           139           140 
      1   0.114083D+02 -0.373370D+01  0.171773D+01 -0.500256D+01 -0.224433D+01
      2  -0.733143D+01  0.257190D-01 -0.564414D+01  0.690927D+00  0.558461D+01
      3  -0.407688D+01  0.370798D+01  0.392641D+01  0.431164D+01 -0.334029D+01
      4  -0.149308D+02  0.139523D+02 -0.824066D+01  0.144719D+02 -0.152094D+02
      5   0.188532D+02 -0.114290D+02  0.162246D+02 -0.126077D+02  0.126659D+02
      6  -0.108344D+02  0.113763D+02 -0.872303D+01  0.104111D+02 -0.145989D+02
               141           142           143           144           145 
      1   0.338869D+01  0.162774D+01  0.230361D+01 -0.213889D+01  0.100519D+01
      2   0.122185D+01 -0.428780D+01  0.898723D+00 -0.435478D+01 -0.261889D+01
      3  -0.461054D+01  0.266006D+01 -0.320233D+01  0.649368D+01  0.161370D+01
      4   0.905732D+01 -0.523317D+01  0.594338D+01 -0.701858D+01 -0.121773D+01
      5  -0.112828D+02  0.118137D+02 -0.753885D+01  0.113053D+02 -0.325066D+01
      6   0.129041D+02 -0.624487D+01  0.971243D+01 -0.927014D+01  0.803856D+00
               146           147           148           149           150 
      1  -0.136488D+01 -0.465117D+01 -0.172740D+01  0.667614D+00 -0.121448D+01
      2   0.475542D+00  0.248175D+01  0.481200D+00 -0.101706D+01  0.557160D+00
      3   0.889336D+00  0.216942D+01  0.124620D+01  0.349447D+00  0.657322D+00
      4   0.278285D+01  0.328391D+00  0.517662D+01 -0.148040D+00 -0.385393D+01
      5   0.164256D+00  0.609348D+01  0.704666D+00 -0.360929D+01 -0.126179D+01
      6   0.246409D-01  0.478466D+00 -0.125772D+01  0.135041D+01  0.624017D+01
               151           152           153           154           155 
      1  -0.830298D+01 -0.991043D+00 -0.124792D+02  0.156997D+02  0.863718D+01
      2   0.851016D+01  0.316512D+00 -0.191345D+02 -0.537917D+01 -0.273767D+01
      3  -0.207179D+00  0.674531D+00  0.316137D+02 -0.103206D+02 -0.589952D+01
      4   0.126023D+01 -0.591114D+01 -0.234161D+01  0.939617D+01  0.151321D+02
      5   0.151094D+02 -0.177133D+01 -0.436974D+02  0.107129D+01  0.238785D+00
      6  -0.188129D+01  0.681399D+01  0.775195D+01 -0.104421D+01 -0.241498D+01
               156           157           158           159           160 
      1   0.274586D+01  0.184593D+02  0.106499D+02  0.339298D+00  0.841667D+01
      2  -0.819403D+00 -0.793712D+01  0.269576D+01  0.128824D+01 -0.361440D+01
      3  -0.192645D+01 -0.105222D+02 -0.133457D+02 -0.162754D+01 -0.480227D+01
      4   0.104511D+01  0.182203D+02  0.289993D+02  0.284937D+01  0.262386D+01
      5   0.344022D+01 -0.191429D+01  0.287979D+01  0.811234D+01  0.373663D+01
      6   0.545877D+00 -0.156346D+01 -0.474749D+01  0.186076D+01  0.109177D+01
               161           162           163           164           165 
      1   0.170747D+01  0.491059D+00  0.420103D+02 -0.171203D+02  0.481811D+01
      2   0.267696D+00 -0.173879D+01 -0.161308D+02  0.447363D+01 -0.129686D+01
      3  -0.197516D+01  0.124773D+01 -0.258795D+02  0.126467D+02 -0.352125D+01
      4   0.633931D+01  0.420582D+01 -0.250095D+02  0.209737D+02 -0.250958D+01
      5   0.472826D+01  0.607847D+00  0.839429D+00 -0.394368D+00  0.739825D+01
      6   0.169337D+01  0.117913D+01  0.169167D+01 -0.245377D+01 -0.148492D+01
               166           167           168           169           170 
      1  -0.243485D+02  0.133714D+02 -0.139909D+01  0.131866D+02 -0.379513D+01
      2   0.648821D+01  0.228080D+01 -0.107281D+01 -0.479837D+01  0.554298D-01
      3   0.178603D+02 -0.156522D+02  0.247189D+01 -0.838823D+01  0.373970D+01
      4   0.261305D+02 -0.225871D+02  0.339823D+01 -0.704754D+01  0.742082D+01
      5   0.660650D+00  0.185910D+01 -0.751025D+01  0.731795D+01 -0.490210D+01
      6  -0.222162D+01  0.152629D+01  0.317063D+01 -0.182872D+01  0.206984D+01
               171 
      1   0.316527D+01
      2  -0.260716D+01
      3  -0.558110D+00
      4  -0.526984D+01
      5   0.207863D+01
      6  -0.888973D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.604592D+00      0.153672D+01      0.512594D+01
   y         -0.648839D+00     -0.164919D+01     -0.550109D+01
   z         -0.552847D-01     -0.140520D+00     -0.468724D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.822684D+02      0.121909D+02      0.135642D+02
   yx         0.708673D+00      0.105015D+00      0.116844D+00
   yy         0.716521D+02      0.106177D+02      0.118138D+02
   zx        -0.279313D+01     -0.413898D+00     -0.460524D+00
   zy         0.252988D+01      0.374890D+00      0.417121D+00
   zz         0.699315D+02      0.103628D+02      0.115301D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.803014D+02      0.118994D+02      0.132399D+02
   aniso      0.127503D+02      0.188939D+01      0.210223D+01
   xx         0.878827D+02      0.130229D+02      0.144899D+02
   yx         0.106433D+00      0.157718D-01      0.175485D-01
   yy         0.775290D+02      0.114886D+02      0.127828D+02
   zx        -0.243409D+01     -0.360695D+00     -0.401328D+00
   zy         0.202699D+01      0.300368D+00      0.334205D+00
   zz         0.754923D+02      0.111868D+02      0.124470D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.86226565          1.26513217          3.58459217
     6          0.45728691          0.54899311          2.15539016
     6          1.13324831         -0.53641276         -0.50075621
     6         -1.23908976         -1.57726423         -1.71160786
     8         -1.95896519         -3.78688209         -0.65227171
     6         -1.37545119          2.77427411          2.01174806
     7          2.31371840          1.19192717         -2.27462878
     8         -2.43033892         -0.56524136         -3.36385055
     1          2.39832729         -2.13975496         -0.17962232
     1         -0.45521485         -0.99158164          3.18819802
     1         -3.52678812         -4.28334591         -1.46217920
     1          0.98993673          2.25459485         -3.15767131
     1          3.57315121          2.34004742         -1.41283401
     1         -0.54095941          4.35578203          0.98180569
     1         -3.13539721          2.26948058          1.06475661
     1         -1.84202862          3.44108070          3.90631371
     1          4.16971419         -0.32612988          3.70913674
     1          3.84871799          2.83518010          2.67392913
     1          2.40937100          1.86981734          5.50335310

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.888583D+00      0.225855D+01      0.753372D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.888583D+00      0.225855D+01      0.753372D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.746173D+02      0.110571D+02      0.123027D+02
   aniso      0.133434D+02      0.197729D+01      0.220003D+01
   xx         0.740583D+02      0.109743D+02      0.122106D+02
   yx         0.426659D+01      0.632243D+00      0.703465D+00
   yy         0.734714D+02      0.108873D+02      0.121138D+02
   zx         0.613267D+01      0.908769D+00      0.101114D+01
   zy         0.112647D+01      0.166925D+00      0.185729D+00
   zz         0.763224D+02      0.113098D+02      0.125839D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.803014D+02      0.118994D+02      0.132399D+02
   aniso      0.127503D+02      0.188939D+01      0.210223D+01
   xx         0.795136D+02      0.117827D+02      0.131100D+02
   yx         0.400897D+01      0.594068D+00      0.660990D+00
   yy         0.787917D+02      0.116757D+02      0.129910D+02
   zx         0.562359D+01      0.833330D+00      0.927205D+00
   zy         0.155052D+01      0.229763D+00      0.255646D+00
   zz         0.825988D+02      0.122399D+02      0.136187D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-30\Freq\RLC-PBEPBE\Gen\C5H11N1O2\PIERPA\16-Aug-2021\0
 \\#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight
 ) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0337000
 000,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=
 -1)\\ROA calculations.\\0,1\C,2.41225,-0.293817,-0.659732\C,1.052491,-
 0.579308,-0.023478\C,-0.027034,0.388733,-0.598813\C,-1.390463,-0.04611
 3,-0.10697\O,-1.821402,-1.161736,-0.736457\C,1.133559,-0.529563,1.5009
 87\N,0.135122,1.799703,-0.297606\O,-2.020824,0.489404,0.767388\H,-0.02
 1936,0.253255,-1.684416\H,0.747954,-1.585935,-0.324216\H,-2.672285,-1.
 401673,-0.337129\H,-0.2396,2.012406,0.618715\H,1.104748,2.081912,-0.33
 5804\H,1.429701,0.463432,1.845535\H,0.179505,-0.772294,1.970784\H,1.87
 7624,-1.240196,1.864259\H,2.361305,-0.338696,-1.74945\H,2.788843,0.693
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 \State=1-A\HF=-402.5697237\RMSD=3.706e-09\RMSF=1.040e-05\ZeroPoint=0.1
 641711\Thermal=0.1736698\Dipole=0.6045919,-0.6488395,-0.0552847\Dipole
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 702062,0.1404054,-0.3509285,-0.8087402,0.1475618,0.2979008,-0.0583189,
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 ,-0.0053694,-0.0203075,-0.0103211,-0.0196652,-0.0054771,-0.0562254,-0.
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 .0496637,0.019423,-0.0523813,0.2327689,0.0194545,0.0193333,-0.0653055,
 0.0700203,0.0308238,-0.0832252,0.0149939,-0.0369755,0.2464672,-0.06215
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 0.0521079,0.0960572,-0.0440653,0.0558679,0.0058543,0.0666525,0.0066716
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 04449,-0.0443506,0.0563274,0.0426201\Polar=82.2684465,0.708673,71.6520
 698,-2.7931254,2.5298829,69.9314743\Quadrupole=1.8639619,-0.5040087,-1
 .3599533,4.398758,1.215239,0.417114\PG=C01 [X(C5H11N1O2)]\NImag=0\\0.4
 8341041,-0.01981424,0.55582090,0.04182070,0.00499664,0.55581666,-0.156
 34472,-0.01994866,0.03616074,0.46247095,-0.02211539,-0.08347554,0.0076
 0782,0.05725000,0.54572019,0.03785044,0.00745232,-0.09395347,0.0047009
 1,0.04575499,0.47610600,-0.03215910,0.02391344,-0.01019845,-0.10252749
 ,0.00794283,-0.01169292,0.44660194,0.00292400,0.00440454,-0.00333495,0
 .02275901,-0.08694047,0.00913243,0.04928896,0.46825694,0.00662971,-0.0
 0679283,0.00409443,-0.02156744,0.01114164,-0.08496800,-0.03650689,0.06
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 FOR THE NATURE OF THE CHEMICAL BOND
 IS THE PROBLEM AT THE HEART OF ALL CHEMISTRY.

                     -- BRYCE CRAWFORD, JR., 1953
 Job cpu time:       0 days  2 hours 33 minutes 49.6 seconds.
 Elapsed time:       0 days  0 hours 19 minutes 17.3 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:39:11 2021.
